2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C14H13ClN2OS — CID 110715860

IUPAC2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1nccs1)C1CC1
InChIInChI=1S/C14H13ClN2OS/c15-12-4-2-1-3-11(12)14(18)17(10-5-6-10)9-13-16-7-8-19-13/h1-4,7-8,10H,5-6,9H2
InChIKeyAUKRPHTXYJEZKU-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.60
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide

2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 110715860) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID110715860
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1nccs1)C1CC1
InChIInChI=1S/C14H13ClN2OS/c15-12-4-2-1-3-11(12)14(18)17(10-5-6-10)9-13-16-7-8-19-13/h1-4,7-8,10H,5-6,9H2
InChIKeyAUKRPHTXYJEZKU-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 110747649
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50976083
5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
CID 110742645
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716155
N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 119059811
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 135106664
N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 110715827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 110715860) is 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(c1ccccc1Cl)N(Cc1nccs1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is AUKRPHTXYJEZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-4-2-1-3-11(12)14(18)17(10-5-6-10)9-13-16-7-8-19-13/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 110715860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).