N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C15H15FN2OS — CID 110716132

IUPACN-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(c1cccc(F)c1)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H15FN2OS/c16-12-3-1-2-11(10-12)15(19)18(13-4-5-13)8-6-14-17-7-9-20-14/h1-3,7,9-10,13H,4-6,8H2
InChIKeyOMMFYGDMICPBTQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.13
Rot. Bonds5

About N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110716132) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110716132
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(c1cccc(F)c1)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H15FN2OS/c16-12-3-1-2-11(10-12)15(19)18(13-4-5-13)8-6-14-17-7-9-20-14/h1-3,7,9-10,13H,4-6,8H2
InChIKeyOMMFYGDMICPBTQ-UHFFFAOYSA-N
XLogP3.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716155
N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716174
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
CID 119071571
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716156
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
ethyl 2-[[cyclohexyl-(3-fluorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 110716132) is N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(c1cccc(F)c1)N(CCc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is OMMFYGDMICPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-12-3-1-2-11(10-12)15(19)18(13-4-5-13)8-6-14-17-7-9-20-14/h1-3,7,9-10,13H,4-6,8H2.
What are the key properties of N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110716132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).