5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C17H14N4OS2 — CID 4224270

IUPAC5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)Nc3nccs3)s2)nc2ccccc21
InChIInChI=1S/C17H14N4OS2/c1-2-21-12-6-4-3-5-11(12)19-15(21)13-7-8-14(24-13)16(22)20-17-18-9-10-23-17/h3-10H,2H2,1H3,(H,18,20,22)
InChIKeyNYTURLOHWOTTKJ-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.49
Rot. Bonds4

About 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 4224270) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID4224270
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)Nc3nccs3)s2)nc2ccccc21
InChIInChI=1S/C17H14N4OS2/c1-2-21-12-6-4-3-5-11(12)19-15(21)13-7-8-14(24-13)16(22)20-17-18-9-10-23-17/h3-10H,2H2,1H3,(H,18,20,22)
InChIKeyNYTURLOHWOTTKJ-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
CID 4731905
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731945
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N'-(2,4-dinitrophenyl)-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4731962
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 4224270) is 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is CCn1c(-c2ccc(C(=O)Nc3nccs3)s2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is NYTURLOHWOTTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-2-21-12-6-4-3-5-11(12)19-15(21)13-7-8-14(24-13)16(22)20-17-18-9-10-23-17/h3-10H,2H2,1H3,(H,18,20,22).
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).