5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C17H18N4OS — CID 70736826

IUPAC5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cn(Cc2cc(C3CC3)on2)c(-c2nc3c(s2)CCCC3)n1
InChIInChI=1S/C17H18N4OS/c1-2-4-15-13(3-1)19-17(23-15)16-18-7-8-21(16)10-12-9-14(22-20-12)11-5-6-11/h7-9,11H,1-6,10H2
InChIKeyAZFRIUBQGHLOSF-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.80
Rot. Bonds4

About 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 70736826) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID70736826
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cn(Cc2cc(C3CC3)on2)c(-c2nc3c(s2)CCCC3)n1
InChIInChI=1S/C17H18N4OS/c1-2-4-15-13(3-1)19-17(23-15)16-18-7-8-21(16)10-12-9-14(22-20-12)11-5-6-11/h7-9,11H,1-6,10H2
InChIKeyAZFRIUBQGHLOSF-UHFFFAOYSA-N
XLogP3.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole 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-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 70736826) is 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is c1cn(Cc2cc(C3CC3)on2)c(-c2nc3c(s2)CCCC3)n1.
What is the InChIKey of 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is AZFRIUBQGHLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-4-15-13(3-1)19-17(23-15)16-18-7-8-21(16)10-12-9-14(22-20-12)11-5-6-11/h7-9,11H,1-6,10H2.
What are the key properties of 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 326.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 70736826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).