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

C17H15ClN4O2S — CID 4105005

IUPAC6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H15ClN4O2S/c18-13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)12-11-19-17-22(16(12)24)9-10-25-17/h1-4,9-11H,5-8H2
InChIKeySUXLLLMVLPOMPO-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.37
Rot. Bonds2

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

6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4105005) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4105005
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H15ClN4O2S/c18-13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)12-11-19-17-22(16(12)24)9-10-25-17/h1-4,9-11H,5-8H2
InChIKeySUXLLLMVLPOMPO-UHFFFAOYSA-N
XLogP2.37
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4105005) is 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SUXLLLMVLPOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)12-11-19-17-22(16(12)24)9-10-25-17/h1-4,9-11H,5-8H2.
What are the key properties of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 374.85 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).