5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide

C13H15N3O2S2 — CID 131940296

IUPAC5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCSc1ncc(CNC(=O)c2ccc(C(C)=O)s2)n1C
InChIInChI=1S/C13H15N3O2S2/c1-8(17)10-4-5-11(20-10)12(18)14-6-9-7-15-13(19-3)16(9)2/h4-5,7H,6H2,1-3H3,(H,14,18)
InChIKeyBUJCJNAEDPHLSY-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.34
Rot. Bonds5

About 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 131940296) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID131940296
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCSc1ncc(CNC(=O)c2ccc(C(C)=O)s2)n1C
InChIInChI=1S/C13H15N3O2S2/c1-8(17)10-4-5-11(20-10)12(18)14-6-9-7-15-13(19-3)16(9)2/h4-5,7H,6H2,1-3H3,(H,14,18)
InChIKeyBUJCJNAEDPHLSY-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
CID 72936192
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 91794562
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 70711712
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70776573
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131942207
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 97146952
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 8546646
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide (CID 131940296) is 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide is CSc1ncc(CNC(=O)c2ccc(C(C)=O)s2)n1C.
What is the InChIKey of 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is BUJCJNAEDPHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8(17)10-4-5-11(20-10)12(18)14-6-9-7-15-13(19-3)16(9)2/h4-5,7H,6H2,1-3H3,(H,14,18).
What are the key properties of 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 131940296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).