6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H16N4O4S2 — CID 42920082

IUPAC6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16N4O4S2/c22-15(14-12-18-17-21(16(14)23)10-11-26-17)19-6-8-20(9-7-19)27(24,25)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyDJGADSCZQWAXIY-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.90
Rot. Bonds3

About 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42920082) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42920082
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16N4O4S2/c22-15(14-12-18-17-21(16(14)23)10-11-26-17)19-6-8-20(9-7-19)27(24,25)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyDJGADSCZQWAXIY-UHFFFAOYSA-N
XLogP0.90
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42920082) is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DJGADSCZQWAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c22-15(14-12-18-17-21(16(14)23)10-11-26-17)19-6-8-20(9-7-19)27(24,25)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2.
What are the key properties of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 404.47 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42920082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).