2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one

C14H8N4OS — CID 46888929

IUPAC2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2nccs2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18)
InChIKeyCDCCTZJZHTUCLT-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.39
Rot. Bonds1

About 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888929) has the molecular formula C14H8N4OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888929
Molecular FormulaC14H8N4OS
Molecular Weight280.31 g/mol
Exact Mass280.04
IUPAC Name2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2nccs2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18)
InChIKeyCDCCTZJZHTUCLT-UHFFFAOYSA-N
XLogP2.39
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one (CID 46888929) is 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2nccs2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is CDCCTZJZHTUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18).
What are the key properties of 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 280.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-thiazol-2-yl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).