5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C10H8N4OS — CID 118733042

IUPAC5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-n3cccc3)nc2c(=O)[nH]1
InChIInChI=1S/C10H8N4OS/c1-6-11-8(15)7-9(12-6)16-10(13-7)14-4-2-3-5-14/h2-5H,1H3,(H,11,12,15)
InChIKeyACLCHBCQJQXFJQ-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733042) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733042
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-n3cccc3)nc2c(=O)[nH]1
InChIInChI=1S/C10H8N4OS/c1-6-11-8(15)7-9(12-6)16-10(13-7)14-4-2-3-5-14/h2-5H,1H3,(H,11,12,15)
InChIKeyACLCHBCQJQXFJQ-UHFFFAOYSA-N
XLogP1.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733042) is 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1nc2sc(-n3cccc3)nc2c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is ACLCHBCQJQXFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6-11-8(15)7-9(12-6)16-10(13-7)14-4-2-3-5-14/h2-5H,1H3,(H,11,12,15).
What are the key properties of 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 232.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).