3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C15H10ClN3OS — CID 4115065

IUPAC3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3OS/c16-12-3-1-2-11(8-12)14(20)19-15-18-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20)
InChIKeyKCEVOHXULJUIFT-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4115065) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4115065
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3OS/c16-12-3-1-2-11(8-12)14(20)19-15-18-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20)
InChIKeyKCEVOHXULJUIFT-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 18587106
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 139378000
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 4115065) is 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KCEVOHXULJUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-12-3-1-2-11(8-12)14(20)19-15-18-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20).
What are the key properties of 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 315.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4115065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).