N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide

C12H15N3OS — CID 47187508

IUPACN-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)Cn2ccnc2)s1
InChIInChI=1S/C12H15N3OS/c1-9(7-15-6-5-13-8-15)14-12(16)11-4-3-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyDLTPFNMXBUDSKO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.07
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 47187508) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID47187508
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)Cn2ccnc2)s1
InChIInChI=1S/C12H15N3OS/c1-9(7-15-6-5-13-8-15)14-12(16)11-4-3-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyDLTPFNMXBUDSKO-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1-imidazol-1-ylpropan-2-yl)pyridazine-3-carboxamide
CID 62185317
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide (CID 47187508) is N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)Cn2ccnc2)s1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is DLTPFNMXBUDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(7-15-6-5-13-8-15)14-12(16)11-4-3-10(2)17-11/h3-6,8-9H,7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).