3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide

C11H12ClN3OS — CID 103403443

IUPAC3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2cnc[nH]2)c1Cl
InChIInChI=1S/C11H12ClN3OS/c1-7-5-17-10(9(7)12)11(16)14-3-2-8-4-13-6-15-8/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyOHGHOLVYVBTVAF-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 103403443) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
PubChem CID103403443
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2cnc[nH]2)c1Cl
InChIInChI=1S/C11H12ClN3OS/c1-7-5-17-10(9(7)12)11(16)14-3-2-8-4-13-6-15-8/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyOHGHOLVYVBTVAF-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
3-(3-aminoprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzamide
CID 81460605
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide (CID 103403443) is 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCc2cnc[nH]2)c1Cl.
What is the InChIKey of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is OHGHOLVYVBTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7-5-17-10(9(7)12)11(16)14-3-2-8-4-13-6-15-8/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).