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

C12H7ClN4OS2 — CID 89445696

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1Cl)c1ccns1
InChIInChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-3-5-15-20-8)19-11(16-9)7-2-1-4-14-6-7/h1-6H,(H,17,18)
InChIKeyQBZJLOWYZXJECH-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.57
Rot. Bonds3

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

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide (PubChem CID 89445696) 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)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
PubChem CID89445696
Molecular FormulaC12H7ClN4OS2
Molecular Weight322.80 g/mol
Exact Mass321.97
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1Cl)c1ccns1
InChIInChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-3-5-15-20-8)19-11(16-9)7-2-1-4-14-6-7/h1-6H,(H,17,18)
InChIKeyQBZJLOWYZXJECH-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-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 70833052
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
CID 89445686
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-methylidenebutanamide
CID 89012334
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)oxolane-3-carboxamide;methane
CID 159604723
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 70833134
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide (CID 89445696) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide is O=C(Nc1sc(-c2cccnc2)nc1Cl)c1ccns1.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide?
The InChIKey is QBZJLOWYZXJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OS2/c13-9-12(17-10(18)8-3-5-15-20-8)19-11(16-9)7-2-1-4-14-6-7/h1-6H,(H,17,18).
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-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)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 89445696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).