2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide

C17H20ClN3OS — CID 75494938

IUPAC2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2csc(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-19-16(22)14-7-6-12(8-15(14)18)20-9-13-10-23-17(21-13)11-4-2-3-5-11/h6-8,10-11,20H,2-5,9H2,1H3,(H,19,22)
InChIKeyBRLWSWPAWQRXLZ-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.43
Rot. Bonds5

About 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide

2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide (PubChem CID 75494938) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
PubChem CID75494938
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2csc(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-19-16(22)14-7-6-12(8-15(14)18)20-9-13-10-23-17(21-13)11-4-2-3-5-11/h6-8,10-11,20H,2-5,9H2,1H3,(H,19,22)
InChIKeyBRLWSWPAWQRXLZ-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 71972939
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 126783722
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
2-chloro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 55152436
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 71857453
4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide
CID 146143576
2-chloro-4-[(4-cyclohexylphenyl)methylamino]benzoic acid
CID 135241315
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide (CID 75494938) is 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2csc(C3CCCC3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide?
The InChIKey is BRLWSWPAWQRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-19-16(22)14-7-6-12(8-15(14)18)20-9-13-10-23-17(21-13)11-4-2-3-5-11/h6-8,10-11,20H,2-5,9H2,1H3,(H,19,22).
What are the key properties of 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide?
2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide has a molecular weight of 349.89 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 75494938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).