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

C17H17ClN4O4S2 — CID 26810707

IUPAC6-[4-(2-chlorophenyl)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)c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN4O4S2/c18-13-3-1-2-4-14(13)28(25,26)21-7-5-20(6-8-21)15(23)12-11-19-17-22(16(12)24)9-10-27-17/h1-4,11H,5-10H2
InChIKeyCDAFFMNQFMEZKG-UHFFFAOYSA-N
MW440.93 g/mol
LogP1.15
Rot. Bonds3

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

6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 26810707) has the molecular formula C17H17ClN4O4S2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID26810707
Molecular FormulaC17H17ClN4O4S2
Molecular Weight440.93 g/mol
Exact Mass440.04
IUPAC Name6-[4-(2-chlorophenyl)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)c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN4O4S2/c18-13-3-1-2-4-14(13)28(25,26)21-7-5-20(6-8-21)15(23)12-11-19-17-22(16(12)24)9-10-27-17/h1-4,11H,5-10H2
InChIKeyCDAFFMNQFMEZKG-UHFFFAOYSA-N
XLogP1.15
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 26810707) is 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-chlorophenyl)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)c2ccccc2Cl)CC1.
What is the InChIKey of 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CDAFFMNQFMEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4S2/c18-13-3-1-2-4-14(13)28(25,26)21-7-5-20(6-8-21)15(23)12-11-19-17-22(16(12)24)9-10-27-17/h1-4,11H,5-10H2.
What are the key properties of 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 440.93 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 26810707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).