6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H17ClN4O3S2 — CID 23004541

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H17ClN4O3S2/c1-12-15(16(23)22-9-10-26-17(22)19-12)27(24,25)21-7-5-20(6-8-21)14-4-2-3-13(18)11-14/h2-4,9-11H,5-8H2,1H3
InChIKeyRGTFQKQURLXKGK-UHFFFAOYSA-N
MW424.94 g/mol
LogP2.23
Rot. Bonds3

About 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004541) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004541
Molecular FormulaC17H17ClN4O3S2
Molecular Weight424.94 g/mol
Exact Mass424.04
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H17ClN4O3S2/c1-12-15(16(23)22-9-10-26-17(22)19-12)27(24,25)21-7-5-20(6-8-21)14-4-2-3-13(18)11-14/h2-4,9-11H,5-8H2,1H3
InChIKeyRGTFQKQURLXKGK-UHFFFAOYSA-N
XLogP2.23
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2498970
7-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8083550
6-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8099700
N-(3-chloro-4-morpholino-phenyl)-5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990076
7-Methyl-N-{4-[4-(2-methylpropanoyl)piperazin-1-YL]phenyl}-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 15990180
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990185
2-[4-(3-chlorophenyl)-1-piperazinyl]-5-(1-methylethylidene)-1,3-thiazol-4(5H)-one
CID 885087
6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20098608
3,7-Dimethyl-6-(4-phenylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8085615
N-ethyl-3,7-dimethyl-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8088003
7-Methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8099681
5-keto-N-[4-(4-mesylpiperazino)phenyl]-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990078

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004541) is 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RGTFQKQURLXKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c1-12-15(16(23)22-9-10-26-17(22)19-12)27(24,25)21-7-5-20(6-8-21)14-4-2-3-13(18)11-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 424.94 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).