N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C12H14N4O2S — CID 115668385

IUPACN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCc1ncc[nH]1
InChIInChI=1S/C12H14N4O2S/c17-11(15-4-3-10-13-5-6-14-10)8-16-12(18)9-2-1-7-19-9/h1-2,5-7H,3-4,8H2,(H,13,14)(H,15,17)(H,16,18)
InChIKeyAYUBCNYFHJTYSO-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.56
Rot. Bonds6

About N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 115668385) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID115668385
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCc1ncc[nH]1
InChIInChI=1S/C12H14N4O2S/c17-11(15-4-3-10-13-5-6-14-10)8-16-12(18)9-2-1-7-19-9/h1-2,5-7H,3-4,8H2,(H,13,14)(H,15,17)(H,16,18)
InChIKeyAYUBCNYFHJTYSO-UHFFFAOYSA-N
XLogP0.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 115668650
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 115620129
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 115668385) is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AYUBCNYFHJTYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-11(15-4-3-10-13-5-6-14-10)8-16-12(18)9-2-1-7-19-9/h1-2,5-7H,3-4,8H2,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 115668385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).