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82588-41-8 | 6-(4-Chlorophenyl);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS No: 82588-41-8 Catalog No: AG005CSB MDL No:MFCD00139595
Product Description
Catalog Number:
AG005CSB
Chemical Name:
6-(4-Chlorophenyl);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS Number:
82588-41-8
Molecular Formula:
C12H7ClN2OS
Molecular Weight:
262.7148
MDL Number:
MFCD00139595
IUPAC Name:
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C12H7ClN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChI Key:
DDZYUQDDVHXBIQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1ccc(cc1)Cl
NSC Number:
332721
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.711g/mol
Monoisotopic Mass:
261.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Evolutionary selection across the nuclear hormone receptor superfamily with a focus on the NR1I subfamily (vitamin D, pregnane X, and constitutive androstane receptors). | Nuclear receptor 20050101 |
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