6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H16Cl2N4O4S2 — CID 26786930

IUPAC6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H16Cl2N4O4S2/c18-12-2-1-3-13(19)14(12)29(26,27)22-6-4-21(5-7-22)15(24)11-10-20-17-23(16(11)25)8-9-28-17/h1-3,10H,4-9H2
InChIKeyPKNKXEWJGAATTE-UHFFFAOYSA-N
MW475.38 g/mol
LogP1.80
Rot. Bonds3

About 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 26786930) has the molecular formula C17H16Cl2N4O4S2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID26786930
Molecular FormulaC17H16Cl2N4O4S2
Molecular Weight475.38 g/mol
Exact Mass474.00
IUPAC Name6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H16Cl2N4O4S2/c18-12-2-1-3-13(19)14(12)29(26,27)22-6-4-21(5-7-22)15(24)11-10-20-17-23(16(11)25)8-9-28-17/h1-3,10H,4-9H2
InChIKeyPKNKXEWJGAATTE-UHFFFAOYSA-N
XLogP1.80
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2,6-Difluorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 25572112
6-[4-(2-Fluorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 45852408
6-[4-(2-Chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 26810707
6-[4-(Benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920082
3-[4-(2,6-Dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43056729

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 26786930) is 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PKNKXEWJGAATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4S2/c18-12-2-1-3-13(19)14(12)29(26,27)22-6-4-21(5-7-22)15(24)11-10-20-17-23(16(11)25)8-9-28-17/h1-3,10H,4-9H2.
What are the key properties of 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 475.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 26786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).