2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine

C14H13N3OS — CID 63657219

IUPAC2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1csc(CNc2ccc3oc(C4CC4)nc3c2)n1
InChIInChI=1S/C14H13N3OS/c1-2-9(1)14-17-11-7-10(3-4-12(11)18-14)16-8-13-15-5-6-19-13/h3-7,9,16H,1-2,8H2
InChIKeyXRIYECPJVGCURU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.77
Rot. Bonds4

About 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine

2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 63657219) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID63657219
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1csc(CNc2ccc3oc(C4CC4)nc3c2)n1
InChIInChI=1S/C14H13N3OS/c1-2-9(1)14-17-11-7-10(3-4-12(11)18-14)16-8-13-15-5-6-19-13/h3-7,9,16H,1-2,8H2
InChIKeyXRIYECPJVGCURU-UHFFFAOYSA-N
XLogP3.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine 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-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine (CID 63657219) is 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine is c1csc(CNc2ccc3oc(C4CC4)nc3c2)n1.
What is the InChIKey of 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is XRIYECPJVGCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-9(1)14-17-11-7-10(3-4-12(11)18-14)16-8-13-15-5-6-19-13/h3-7,9,16H,1-2,8H2.
What are the key properties of 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 271.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 63657219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).