2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C12H8ClN3OS — CID 118733034

IUPAC2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-c3cccc(Cl)c3)nc2c(=O)[nH]1
InChIInChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,14,15,17)
InChIKeyMFJWRYHNRNNAOV-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.01
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733034) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733034
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-c3cccc(Cl)c3)nc2c(=O)[nH]1
InChIInChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,14,15,17)
InChIKeyMFJWRYHNRNNAOV-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
2-(4-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733028
5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733033
2-(3-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733035
2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733037
5-methyl-2-[4-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733029
5-methyl-2-[3-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733036
5-(4-chloro-2,5-difluorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 57753081
5-amino-N-[1-(4-aminoazepan-1-yl)-3-imino-1-methyliminopropan-2-yl]-2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 123992969
5-(3-Chloro-4-fluorophenyl)-6-thia-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 162515677

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733034) is 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1nc2sc(-c3cccc(Cl)c3)nc2c(=O)[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is MFJWRYHNRNNAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,14,15,17).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 277.74 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).