8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

C10H6N4OS — CID 135567107

IUPAC8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3cscn3)nccc12
InChIInChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15)
InChIKeyOBJLYJZXQQXIFV-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.44
Rot. Bonds1

About 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567107) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567107
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3cscn3)nccc12
InChIInChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15)
InChIKeyOBJLYJZXQQXIFV-UHFFFAOYSA-N
XLogP1.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567107) is 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-c3cscn3)nccc12.
What is the InChIKey of 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OBJLYJZXQQXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15).
What are the key properties of 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 230.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).