N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide

C12H7ClN4OS2 — CID 89445686

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1Cl)c1cscn1
InChIInChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-5-19-6-15-8)20-11(16-9)7-2-1-3-14-4-7/h1-6H,(H,17,18)
InChIKeyGSHFEPVNOZMLBQ-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.57
Rot. Bonds3

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 89445686) has the molecular formula C12H7ClN4OS2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID89445686
Molecular FormulaC12H7ClN4OS2
Molecular Weight322.80 g/mol
Exact Mass321.97
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1Cl)c1cscn1
InChIInChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-5-19-6-15-8)20-11(16-9)7-2-1-3-14-4-7/h1-6H,(H,17,18)
InChIKeyGSHFEPVNOZMLBQ-UHFFFAOYSA-N
XLogP3.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
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N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-methylidenebutanamide
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)oxolane-3-carboxamide;methane
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N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
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4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
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N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide (CID 89445686) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1sc(-c2cccnc2)nc1Cl)c1cscn1.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GSHFEPVNOZMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-5-19-6-15-8)20-11(16-9)7-2-1-3-14-4-7/h1-6H,(H,17,18).
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89445686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).