2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C16H22N6O2S — CID 70704262

IUPAC2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)c3sccc3N)cc2C1
InChIInChI=1S/C16H22N6O2S/c1-20(2)16(24)21-5-3-6-22-12(10-21)8-11(19-22)9-18-15(23)14-13(17)4-7-25-14/h4,7-8H,3,5-6,9-10,17H2,1-2H3,(H,18,23)
InChIKeyIIYVLLHNZUKQGO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.34
Rot. Bonds3

About 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 70704262) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID70704262
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)c3sccc3N)cc2C1
InChIInChI=1S/C16H22N6O2S/c1-20(2)16(24)21-5-3-6-22-12(10-21)8-11(19-22)9-18-15(23)14-13(17)4-7-25-14/h4,7-8H,3,5-6,9-10,17H2,1-2H3,(H,18,23)
InChIKeyIIYVLLHNZUKQGO-UHFFFAOYSA-N
XLogP1.34
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-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 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 70704262) is 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is CN(C)C(=O)N1CCCn2nc(CNC(=O)c3sccc3N)cc2C1.
What is the InChIKey of 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is IIYVLLHNZUKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-20(2)16(24)21-5-3-6-22-12(10-21)8-11(19-22)9-18-15(23)14-13(17)4-7-25-14/h4,7-8H,3,5-6,9-10,17H2,1-2H3,(H,18,23).
What are the key properties of 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-aminothiophene-2-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 70704262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).