4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C13H15N3OS2 — CID 82437022

IUPAC4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2sc(C3CCCO3)nc2C2CC2)cs1
InChIInChI=1S/C13H15N3OS2/c14-13-15-8(6-18-13)11-10(7-3-4-7)16-12(19-11)9-2-1-5-17-9/h6-7,9H,1-5H2,(H2,14,15)
InChIKeyJKQCJPQLVPYTRZ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.58
Rot. Bonds3

About 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82437022) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82437022
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2sc(C3CCCO3)nc2C2CC2)cs1
InChIInChI=1S/C13H15N3OS2/c14-13-15-8(6-18-13)11-10(7-3-4-7)16-12(19-11)9-2-1-5-17-9/h6-7,9H,1-5H2,(H2,14,15)
InChIKeyJKQCJPQLVPYTRZ-UHFFFAOYSA-N
XLogP3.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-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 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82437022) is 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is Nc1nc(-c2sc(C3CCCO3)nc2C2CC2)cs1.
What is the InChIKey of 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is JKQCJPQLVPYTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-13-15-8(6-18-13)11-10(7-3-4-7)16-12(19-11)9-2-1-5-17-9/h6-7,9H,1-5H2,(H2,14,15).
What are the key properties of 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 293.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82437022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).