N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C17H23N7OS — CID 56705422

IUPACN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)CC(NC(=O)c1cn2ccsc2n1)c1nnc2n1CCNCC2
InChIInChI=1S/C17H23N7OS/c1-11(2)9-12(15-22-21-14-3-4-18-5-6-24(14)15)19-16(25)13-10-23-7-8-26-17(23)20-13/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,19,25)
InChIKeyWNSBKMCVOGGTMX-UHFFFAOYSA-N
MW373.49 g/mol
LogP1.65
Rot. Bonds5

About N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 56705422) has the molecular formula C17H23N7OS and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID56705422
Molecular FormulaC17H23N7OS
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)CC(NC(=O)c1cn2ccsc2n1)c1nnc2n1CCNCC2
InChIInChI=1S/C17H23N7OS/c1-11(2)9-12(15-22-21-14-3-4-18-5-6-24(14)15)19-16(25)13-10-23-7-8-26-17(23)20-13/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,19,25)
InChIKeyWNSBKMCVOGGTMX-UHFFFAOYSA-N
XLogP1.65
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-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-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 56705422) is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC(C)CC(NC(=O)c1cn2ccsc2n1)c1nnc2n1CCNCC2.
What is the InChIKey of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is WNSBKMCVOGGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7OS/c1-11(2)9-12(15-22-21-14-3-4-18-5-6-24(14)15)19-16(25)13-10-23-7-8-26-17(23)20-13/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,19,25).
What are the key properties of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 56705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).