N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C13H12N4OS2 — CID 115620129

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N4OS2/c18-12(16-4-3-11-14-5-6-15-11)9-8-20-13(17-9)10-2-1-7-19-10/h1-2,5-8H,3-4H2,(H,14,15)(H,16,18)
InChIKeyOREVATKZHODEQH-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 115620129) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID115620129
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N4OS2/c18-12(16-4-3-11-14-5-6-15-11)9-8-20-13(17-9)10-2-1-7-19-10/h1-2,5-8H,3-4H2,(H,14,15)(H,16,18)
InChIKeyOREVATKZHODEQH-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115668385
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70756855
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 115620129) is N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCCc1ncc[nH]1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OREVATKZHODEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c18-12(16-4-3-11-14-5-6-15-11)9-8-20-13(17-9)10-2-1-7-19-10/h1-2,5-8H,3-4H2,(H,14,15)(H,16,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115620129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).