N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine

C17H13N5OS — CID 10308733

IUPACN-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine
SMILESc1cc(Nc2ncoc2C2CC2)nc(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C17H13N5OS/c1-2-10(1)15-17(19-8-23-15)22-14-5-6-18-16(21-14)11-3-4-12-13(7-11)24-9-20-12/h3-10H,1-2H2,(H,18,21,22)
InChIKeyANQNCCFCYKRMON-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine

N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine (PubChem CID 10308733) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine
PubChem CID10308733
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine
SMILESc1cc(Nc2ncoc2C2CC2)nc(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C17H13N5OS/c1-2-10(1)15-17(19-8-23-15)22-14-5-6-18-16(21-14)11-3-4-12-13(7-11)24-9-20-12/h3-10H,1-2H2,(H,18,21,22)
InChIKeyANQNCCFCYKRMON-UHFFFAOYSA-N
XLogP4.36
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-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 N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine (CID 10308733) is N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine is c1cc(Nc2ncoc2C2CC2)nc(-c2ccc3ncsc3c2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine?
The InChIKey is ANQNCCFCYKRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-2-10(1)15-17(19-8-23-15)22-14-5-6-18-16(21-14)11-3-4-12-13(7-11)24-9-20-12/h3-10H,1-2H2,(H,18,21,22).
What are the key properties of N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine?
N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine has a molecular weight of 335.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-5-cyclopropyl-1,3-oxazol-4-amine is sourced from PubChem (CID 10308733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).