3-pyrimidin-4-yl-1,2-thiazole

C7H5N3S — CID 91474403

IUPAC3-pyrimidin-4-yl-1,2-thiazole
SMILESc1cc(-c2ccsn2)ncn1
InChIInChI=1S/C7H5N3S/c1-3-8-5-9-6(1)7-2-4-11-10-7/h1-5H
InChIKeyJOQRWYKDCPDELZ-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.60
Rot. Bonds1

About 3-pyrimidin-4-yl-1,2-thiazole

3-pyrimidin-4-yl-1,2-thiazole (PubChem CID 91474403) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-1,2-thiazole.

Molecular Properties

Compound Name3-pyrimidin-4-yl-1,2-thiazole
PubChem CID91474403
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name3-pyrimidin-4-yl-1,2-thiazole
SMILESc1cc(-c2ccsn2)ncn1
InChIInChI=1S/C7H5N3S/c1-3-8-5-9-6(1)7-2-4-11-10-7/h1-5H
InChIKeyJOQRWYKDCPDELZ-UHFFFAOYSA-N
XLogP1.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-pyrimidin-4-yl-1,2-thiazole 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 3-pyrimidin-4-yl-1,2-thiazole?
The IUPAC name of 3-pyrimidin-4-yl-1,2-thiazole (CID 91474403) is 3-pyrimidin-4-yl-1,2-thiazole.
What is the SMILES notation for 3-pyrimidin-4-yl-1,2-thiazole?
The canonical SMILES for 3-pyrimidin-4-yl-1,2-thiazole is c1cc(-c2ccsn2)ncn1.
What is the InChIKey of 3-pyrimidin-4-yl-1,2-thiazole?
The InChIKey is JOQRWYKDCPDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c1-3-8-5-9-6(1)7-2-4-11-10-7/h1-5H.
What are the key properties of 3-pyrimidin-4-yl-1,2-thiazole?
3-pyrimidin-4-yl-1,2-thiazole has a molecular weight of 163.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-1,2-thiazole is sourced from PubChem (CID 91474403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).