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

C17H16Cl2N4O2S — CID 3242531

IUPAC6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N4O2S/c18-13-2-1-11(9-14(13)19)21-3-5-22(6-4-21)15(24)12-10-20-17-23(16(12)25)7-8-26-17/h1-2,9-10H,3-8H2
InChIKeyTZPYWJMJNPVNSD-UHFFFAOYSA-N
MW411.31 g/mol
LogP2.62
Rot. Bonds2

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

6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3242531) has the molecular formula C17H16Cl2N4O2S and a molecular weight of 411.31 g/mol. Its IUPAC name is 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3242531
Molecular FormulaC17H16Cl2N4O2S
Molecular Weight411.31 g/mol
Exact Mass410.04
IUPAC Name6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N4O2S/c18-13-2-1-11(9-14(13)19)21-3-5-22(6-4-21)15(24)12-10-20-17-23(16(12)25)7-8-26-17/h1-2,9-10H,3-8H2
InChIKeyTZPYWJMJNPVNSD-UHFFFAOYSA-N
XLogP2.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3242531) is 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is TZPYWJMJNPVNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2S/c18-13-2-1-11(9-14(13)19)21-3-5-22(6-4-21)15(24)12-10-20-17-23(16(12)25)7-8-26-17/h1-2,9-10H,3-8H2.
What are the key properties of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 411.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).