3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H20N4OS — CID 103483813

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1csc(Cn2cnc3c(c2=O)CCNC3)n1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)12-8-21-13(18-12)7-19-9-17-11-6-16-5-4-10(11)14(19)20/h8-9,16H,4-7H2,1-3H3
InChIKeyOTVMUQXHHIVZIP-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.69
Rot. Bonds2

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

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483813) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483813
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1csc(Cn2cnc3c(c2=O)CCNC3)n1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)12-8-21-13(18-12)7-19-9-17-11-6-16-5-4-10(11)14(19)20/h8-9,16H,4-7H2,1-3H3
InChIKeyOTVMUQXHHIVZIP-UHFFFAOYSA-N
XLogP1.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 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-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483813) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)(C)c1csc(Cn2cnc3c(c2=O)CCNC3)n1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OTVMUQXHHIVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2,3)12-8-21-13(18-12)7-19-9-17-11-6-16-5-4-10(11)14(19)20/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 304.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).