N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide

C12H15N3OS — CID 99933460

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cccs1)c1ncc(C)[nH]1
InChIInChI=1S/C12H15N3OS/c1-3-9(11-13-7-8(2)14-11)15-12(16)10-5-4-6-17-10/h4-7,9H,3H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyAHEGZYYSYXQDQQ-SECBINFHSA-N
MW249.34 g/mol
LogP2.66
Rot. Bonds4

About N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide (PubChem CID 99933460) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
PubChem CID99933460
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cccs1)c1ncc(C)[nH]1
InChIInChI=1S/C12H15N3OS/c1-3-9(11-13-7-8(2)14-11)15-12(16)10-5-4-6-17-10/h4-7,9H,3H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyAHEGZYYSYXQDQQ-SECBINFHSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
CID 99974460
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 99972095
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
CID 72845547
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
CID 100620479
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide (CID 99933460) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide is CC[C@@H](NC(=O)c1cccs1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide?
The InChIKey is AHEGZYYSYXQDQQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9(11-13-7-8(2)14-11)15-12(16)10-5-4-6-17-10/h4-7,9H,3H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 99933460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).