N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide

C14H18N4O2S — CID 91910864

IUPACN-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C1CCc2nn(C)c(=O)n2CC1
InChIInChI=1S/C14H18N4O2S/c1-16(13(19)10-6-8-21-9-10)11-3-4-12-15-17(2)14(20)18(12)7-5-11/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyHJHSUBUPLHSESQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.12
Rot. Bonds2

About N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide

N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide (PubChem CID 91910864) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
PubChem CID91910864
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C1CCc2nn(C)c(=O)n2CC1
InChIInChI=1S/C14H18N4O2S/c1-16(13(19)10-6-8-21-9-10)11-3-4-12-15-17(2)14(20)18(12)7-5-11/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyHJHSUBUPLHSESQ-UHFFFAOYSA-N
XLogP1.12
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-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 N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide (CID 91910864) is N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide is CN(C(=O)c1ccsc1)C1CCc2nn(C)c(=O)n2CC1.
What is the InChIKey of N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide?
The InChIKey is HJHSUBUPLHSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16(13(19)10-6-8-21-9-10)11-3-4-12-15-17(2)14(20)18(12)7-5-11/h6,8-9,11H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide?
N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-3-carboxamide is sourced from PubChem (CID 91910864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).