6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H5ClN2OS — CID 1227112

IUPAC6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1Cl
InChIInChI=1S/C7H5ClN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeyUIMBLJXFGFQSAN-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.72
Rot. Bonds

About 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 1227112) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID1227112
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1Cl
InChIInChI=1S/C7H5ClN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeyUIMBLJXFGFQSAN-UHFFFAOYSA-N
XLogP1.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2063597
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-bromo-7-methyl-
CID 1417404
7-Chloro-5H-thiazolo[3,2-A]pyrimidin-5-one
CID 13585626
7-[Chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10657488
5-[Chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10752329
5-methyl-7H-[1,2-a]pyrimidin-7-one
CID 54613743
2,6-dichloro-7-chloromethyl-5H-thiazolo[3,2-a]pyrimidine-5-one
CID 13105862
6-Bromo-7-(chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13232921
6-Chloro-7-(chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13232922
S-[(6-Chloro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl] O,O-dimethyl phosphorodithioate
CID 13232940
6-Iodo-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 1227112) is 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1Cl.
What is the InChIKey of 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UIMBLJXFGFQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3.
What are the key properties of 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 200.65 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 1227112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).