8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

C10H7N5OS — CID 135567105

IUPAC8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc(-c2nccc3c(=O)[nH]cnc23)cs1
InChIInChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
InChIKeyJEHSMTZNFSEDBY-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.02
Rot. Bonds1

About 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567105) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567105
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc(-c2nccc3c(=O)[nH]cnc23)cs1
InChIInChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
InChIKeyJEHSMTZNFSEDBY-UHFFFAOYSA-N
XLogP1.02
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567105) is 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is Nc1nc(-c2nccc3c(=O)[nH]cnc23)cs1.
What is the InChIKey of 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JEHSMTZNFSEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16).
What are the key properties of 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 245.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-1,3-thiazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).