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

C18H18N4O2S — CID 7177780

IUPAC2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C18H18N4O2S/c1-13-12-22-17(24)15(11-19-18(22)25-13)16(23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyPDEUWAIKAHOFRO-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.03
Rot. Bonds2

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

2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7177780) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7177780
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C18H18N4O2S/c1-13-12-22-17(24)15(11-19-18(22)25-13)16(23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyPDEUWAIKAHOFRO-UHFFFAOYSA-N
XLogP2.03
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7177780) is 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cnc2s1.
What is the InChIKey of 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PDEUWAIKAHOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-12-22-17(24)15(11-19-18(22)25-13)16(23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 354.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7177780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).