3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one

C12H10N4OS — CID 131947016

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1csc(Cn2cnc3ccncc3c2=O)n1
InChIInChI=1S/C12H10N4OS/c1-8-6-18-11(15-8)5-16-7-14-10-2-3-13-4-9(10)12(16)17/h2-4,6-7H,5H2,1H3
InChIKeyVUJVEDDQNQNIDT-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.60
Rot. Bonds2

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one

3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 131947016) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID131947016
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1csc(Cn2cnc3ccncc3c2=O)n1
InChIInChI=1S/C12H10N4OS/c1-8-6-18-11(15-8)5-16-7-14-10-2-3-13-4-9(10)12(16)17/h2-4,6-7H,5H2,1H3
InChIKeyVUJVEDDQNQNIDT-UHFFFAOYSA-N
XLogP1.60
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-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

Related Compounds

3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
5-bromo-6-chloro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-one
CID 114583717
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
methyl 2-[(4-oxopyrido[4,3-d]pyrimidin-3-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866425
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one
CID 172689690
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one (CID 131947016) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one is Cc1csc(Cn2cnc3ccncc3c2=O)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VUJVEDDQNQNIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-8-6-18-11(15-8)5-16-7-14-10-2-3-13-4-9(10)12(16)17/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 258.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 131947016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).