N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C17H19N3O2S — CID 110351886

IUPACN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2nc(CCNC(=O)C3CC3)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(21)19-14-6-4-13(5-7-14)17-20-15(10-23-17)8-9-18-16(22)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyOLNVQEWNUQJDQX-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 110351886) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID110351886
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2nc(CCNC(=O)C3CC3)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(21)19-14-6-4-13(5-7-14)17-20-15(10-23-17)8-9-18-16(22)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeyOLNVQEWNUQJDQX-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110351919
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
4-butyl-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexane-1-carboxamide
CID 35574129
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 110351886) is N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(-c2nc(CCNC(=O)C3CC3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is OLNVQEWNUQJDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(21)19-14-6-4-13(5-7-14)17-20-15(10-23-17)8-9-18-16(22)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110351886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).