3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide

C14H19N3OS — CID 118793775

IUPAC3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCCCC(NC(=O)c1sccc1C)c1nccn1C
InChIInChI=1S/C14H19N3OS/c1-4-5-11(13-15-7-8-17(13)3)16-14(18)12-10(2)6-9-19-12/h6-9,11H,4-5H2,1-3H3,(H,16,18)
InChIKeyHQHDXFODHYEPEP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.06
Rot. Bonds5

About 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide

3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide (PubChem CID 118793775) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
PubChem CID118793775
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCCCC(NC(=O)c1sccc1C)c1nccn1C
InChIInChI=1S/C14H19N3OS/c1-4-5-11(13-15-7-8-17(13)3)16-14(18)12-10(2)6-9-19-12/h6-9,11H,4-5H2,1-3H3,(H,16,18)
InChIKeyHQHDXFODHYEPEP-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125437638
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97150643
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide (CID 118793775) is 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide is CCCC(NC(=O)c1sccc1C)c1nccn1C.
What is the InChIKey of 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
The InChIKey is HQHDXFODHYEPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-5-11(13-15-7-8-17(13)3)16-14(18)12-10(2)6-9-19-12/h6-9,11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide?
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide is sourced from PubChem (CID 118793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).