N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H20N6O2S — CID 91774281

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C17H20N6O2S/c24-9-14-20-21-16(23(14)13-1-2-13)10-5-11(6-10)18-15(25)7-12-8-22-3-4-26-17(22)19-12/h3-4,8,10-11,13,24H,1-2,5-7,9H2,(H,18,25)
InChIKeyAIQNDCKHCYGFGU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.42
Rot. Bonds6

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 91774281) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID91774281
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C17H20N6O2S/c24-9-14-20-21-16(23(14)13-1-2-13)10-5-11(6-10)18-15(25)7-12-8-22-3-4-26-17(22)19-12/h3-4,8,10-11,13,24H,1-2,5-7,9H2,(H,18,25)
InChIKeyAIQNDCKHCYGFGU-UHFFFAOYSA-N
XLogP1.42
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide 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-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 91774281) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is AIQNDCKHCYGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c24-9-14-20-21-16(23(14)13-1-2-13)10-5-11(6-10)18-15(25)7-12-8-22-3-4-26-17(22)19-12/h3-4,8,10-11,13,24H,1-2,5-7,9H2,(H,18,25).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 372.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 91774281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).