5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide

C16H16N4OS — CID 135115766

IUPAC5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCn2cncn2)c1-c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-12-15(13-5-3-2-4-6-13)14(9-22-12)16(21)18-7-8-20-11-17-10-19-20/h2-6,9-11H,7-8H2,1H3,(H,18,21)
InChIKeyBZCDZEYEMFEYNL-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.75
Rot. Bonds5

About 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide

5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide (PubChem CID 135115766) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide
PubChem CID135115766
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCn2cncn2)c1-c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-12-15(13-5-3-2-4-6-13)14(9-22-12)16(21)18-7-8-20-11-17-10-19-20/h2-6,9-11H,7-8H2,1H3,(H,18,21)
InChIKeyBZCDZEYEMFEYNL-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126449375
5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
CID 175644637
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
CID 122161592
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
CID 1115354
1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 92572434
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 91779093
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 165344245
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide (CID 135115766) is 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide is Cc1scc(C(=O)NCCn2cncn2)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is BZCDZEYEMFEYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-12-15(13-5-3-2-4-6-13)14(9-22-12)16(21)18-7-8-20-11-17-10-19-20/h2-6,9-11H,7-8H2,1H3,(H,18,21).
What are the key properties of 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide?
5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 135115766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).