N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide

C12H16N4OS — CID 6499833

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
SMILESCc1nc(C)n(C(C)CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-8(16-10(3)14-9(2)15-16)7-13-12(17)11-5-4-6-18-11/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyLAYQHAYDHJEXHC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 6499833) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
PubChem CID6499833
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
SMILESCc1nc(C)n(C(C)CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-8(16-10(3)14-9(2)15-16)7-13-12(17)11-5-4-6-18-11/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyLAYQHAYDHJEXHC-UHFFFAOYSA-N
XLogP1.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963594
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide (CID 6499833) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide is Cc1nc(C)n(C(C)CNC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is LAYQHAYDHJEXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(16-10(3)14-9(2)15-16)7-13-12(17)11-5-4-6-18-11/h4-6,8H,7H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 6499833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).