N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C15H17N3O2S2 — CID 35705578

IUPACN-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1cccs1
InChIInChI=1S/C15H17N3O2S2/c19-13(16-6-5-12-2-1-7-21-12)8-11-9-22-15(17-11)18-14(20)10-3-4-10/h1-2,7,9-10H,3-6,8H2,(H,16,19)(H,17,18,20)
InChIKeyAXTKIKQXUZFAER-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.45
Rot. Bonds7

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

N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 35705578) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID35705578
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1cccs1
InChIInChI=1S/C15H17N3O2S2/c19-13(16-6-5-12-2-1-7-21-12)8-11-9-22-15(17-11)18-14(20)10-3-4-10/h1-2,7,9-10H,3-6,8H2,(H,16,19)(H,17,18,20)
InChIKeyAXTKIKQXUZFAER-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
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CID 41228240
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N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38709121

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 35705578) is N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1cccs1.
What is the InChIKey of N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is AXTKIKQXUZFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-13(16-6-5-12-2-1-7-21-12)8-11-9-22-15(17-11)18-14(20)10-3-4-10/h1-2,7,9-10H,3-6,8H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 35705578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).