3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one

C9H10N2OS — CID 59284258

IUPAC3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one
SMILESCc1c(=O)nc(C)n2c(C)csc12
InChIInChI=1S/C9H10N2OS/c1-5-4-13-9-6(2)8(12)10-7(3)11(5)9/h4H,1-3H3
InChIKeyPUHYCTVPNPRIKE-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.68
Rot. Bonds

About 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one

3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one (PubChem CID 59284258) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one.

Molecular Properties

Compound Name3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one
PubChem CID59284258
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one
SMILESCc1c(=O)nc(C)n2c(C)csc12
InChIInChI=1S/C9H10N2OS/c1-5-4-13-9-6(2)8(12)10-7(3)11(5)9/h4H,1-3H3
InChIKeyPUHYCTVPNPRIKE-UHFFFAOYSA-N
XLogP1.68
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one?
The IUPAC name of 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one (CID 59284258) is 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one.
What is the SMILES notation for 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one?
The canonical SMILES for 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one is Cc1c(=O)nc(C)n2c(C)csc12.
What is the InChIKey of 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one?
The InChIKey is PUHYCTVPNPRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5-4-13-9-6(2)8(12)10-7(3)11(5)9/h4H,1-3H3.
What are the key properties of 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one?
3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one has a molecular weight of 194.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-[1,3]thiazolo[3,2-c]pyrimidin-7-one is sourced from PubChem (CID 59284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).