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

C16H15N5O3S — CID 51133786

IUPAC5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O3S/c1-11-14(21(23)24)7-15(25-11)16(22)19-13(8-20-10-17-9-18-20)12-5-3-2-4-6-12/h2-7,9-10,13H,8H2,1H3,(H,19,22)
InChIKeyJRLPOEZMINAASO-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.73
Rot. Bonds6

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

5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 51133786) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID51133786
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O3S/c1-11-14(21(23)24)7-15(25-11)16(22)19-13(8-20-10-17-9-18-20)12-5-3-2-4-6-12/h2-7,9-10,13H,8H2,1H3,(H,19,22)
InChIKeyJRLPOEZMINAASO-UHFFFAOYSA-N
XLogP2.73
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide (CID 51133786) is 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide is Cc1sc(C(=O)NC(Cn2cncn2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JRLPOEZMINAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-11-14(21(23)24)7-15(25-11)16(22)19-13(8-20-10-17-9-18-20)12-5-3-2-4-6-12/h2-7,9-10,13H,8H2,1H3,(H,19,22).
What are the key properties of 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide?
5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51133786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).