N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide

C10H11N3OS — CID 6457652

IUPACN-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C10H11N3OS/c14-10(9-2-1-5-15-9)12-4-3-8-6-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)(H,12,14)
InChIKeyJWNKZDQIPCKACF-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 6457652) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID6457652
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C10H11N3OS/c14-10(9-2-1-5-15-9)12-4-3-8-6-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)(H,12,14)
InChIKeyJWNKZDQIPCKACF-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10515825
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-carboxamide
CID 5310058
N-(imidazo[1,2-a]pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 5310064
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
N-(2-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}ethyl)thiophene-2-carboxamide
CID 2795994
N-(3-imidazol-1-ylpropyl)-5-methylthiophene-3-carboxamide
CID 2971216
N-(2-(imidazo[2,1-b]thiazol-6-yl)ethyl)thiophene-2-carboxamide
CID 5310147
N-[1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-2-(2-thienyl)vinyl]-2-thiophenecarboxamide
CID 5764699
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
2-(2-Thienyl)histamine
CID 11819933
2(1H)-Pyridinone, 1-((5-methyl-1H-imidazol-4-yl)methyl)-3-(2-thienyl)-, monohydrochloride
CID 3072541

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide (CID 6457652) is N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1cnc[nH]1)c1cccs1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JWNKZDQIPCKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-10(9-2-1-5-15-9)12-4-3-8-6-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)(H,12,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6457652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).