N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide

C19H12ClN3OS2 — CID 34115598

IUPACN-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1-c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H12ClN3OS2/c20-14-7-5-12(6-8-14)16-19(23-17(24)15-4-2-10-25-15)26-18(22-16)13-3-1-9-21-11-13/h1-11H,(H,23,24)
InChIKeyNPJIBNVPMDJBBS-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.84
Rot. Bonds4

About N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide

N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide (PubChem CID 34115598) has the molecular formula C19H12ClN3OS2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
PubChem CID34115598
Molecular FormulaC19H12ClN3OS2
Molecular Weight397.91 g/mol
Exact Mass397.01
IUPAC NameN-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1sc(-c2cccnc2)nc1-c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H12ClN3OS2/c20-14-7-5-12(6-8-14)16-19(23-17(24)15-4-2-10-25-15)26-18(22-16)13-3-1-9-21-11-13/h1-11H,(H,23,24)
InChIKeyNPJIBNVPMDJBBS-UHFFFAOYSA-N
XLogP5.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
CID 71114674
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 70833052
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 25282899
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
CID 20896251
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)-3-methylsulfanylpropanamide
CID 91754454
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide (CID 34115598) is N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide is O=C(Nc1sc(-c2cccnc2)nc1-c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is NPJIBNVPMDJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS2/c20-14-7-5-12(6-8-14)16-19(23-17(24)15-4-2-10-25-15)26-18(22-16)13-3-1-9-21-11-13/h1-11H,(H,23,24).
What are the key properties of N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 34115598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).