7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H20N4O3S — CID 42890470

IUPAC7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-26-16-4-2-14(3-5-16)18(25)22-8-6-21(7-9-22)13-15-12-17(24)23-10-11-27-19(23)20-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyNMXMKBORCWQOOU-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.72
Rot. Bonds4

About 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42890470) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42890470
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-26-16-4-2-14(3-5-16)18(25)22-8-6-21(7-9-22)13-15-12-17(24)23-10-11-27-19(23)20-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyNMXMKBORCWQOOU-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42890470) is 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1.
What is the InChIKey of 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NMXMKBORCWQOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-16-4-2-14(3-5-16)18(25)22-8-6-21(7-9-22)13-15-12-17(24)23-10-11-27-19(23)20-15/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 384.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).