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

C16H12ClN3OS — CID 16661404

IUPAC4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12ClN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3
InChIKeyQOIYGLHUBGCRFN-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.14
Rot. Bonds3

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

4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 16661404) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID16661404
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12ClN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3
InChIKeyQOIYGLHUBGCRFN-UHFFFAOYSA-N
XLogP4.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 950075
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
[4-(1,3-Benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone
CID 1484935
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 16661404) is 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QOIYGLHUBGCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3.
What are the key properties of 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 329.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16661404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).