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

C17H13ClN2OS — CID 1175846

IUPAC3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2OS/c1-20(16(21)13-8-5-9-14(18)10-13)17-19-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeySBLLJHHUWNVYDW-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.74
Rot. Bonds3

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

3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1175846) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1175846
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2OS/c1-20(16(21)13-8-5-9-14(18)10-13)17-19-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeySBLLJHHUWNVYDW-UHFFFAOYSA-N
XLogP4.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3189544
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 70031085
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
3-benzyl-4-[[4-(5-chloro-2-phenylphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 123465944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1175846) is 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SBLLJHHUWNVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-20(16(21)13-8-5-9-14(18)10-13)17-19-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 328.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1175846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).