5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole

C11H12N4S — CID 114737886

IUPAC5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
SMILESCc1nc(-c2cncs2)nc2c1CNCC2
InChIInChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-13-6-16-10/h5-6,12H,2-4H2,1H3
InChIKeyBOWUTJXAONDSLV-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.55
Rot. Bonds1

About 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole

5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole (PubChem CID 114737886) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
PubChem CID114737886
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
SMILESCc1nc(-c2cncs2)nc2c1CNCC2
InChIInChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-13-6-16-10/h5-6,12H,2-4H2,1H3
InChIKeyBOWUTJXAONDSLV-UHFFFAOYSA-N
XLogP1.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-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 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The IUPAC name of 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole (CID 114737886) is 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole is Cc1nc(-c2cncs2)nc2c1CNCC2.
What is the InChIKey of 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
The InChIKey is BOWUTJXAONDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-8-4-12-3-2-9(8)15-11(14-7)10-5-13-6-16-10/h5-6,12H,2-4H2,1H3.
What are the key properties of 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole?
5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole has a molecular weight of 232.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 114737886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).