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

C18H19ClN4OS — CID 2498970

IUPAC7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C18H19ClN4OS/c1-13-2-3-14(19)10-16(13)22-6-4-21(5-7-22)12-15-11-17(24)23-8-9-25-18(23)20-15/h2-3,8-11H,4-7,12H2,1H3
InChIKeyOYGHUJBAZCDWMC-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.04
Rot. Bonds3

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

7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2498970) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2498970
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C18H19ClN4OS/c1-13-2-3-14(19)10-16(13)22-6-4-21(5-7-22)12-15-11-17(24)23-8-9-25-18(23)20-15/h2-3,8-11H,4-7,12H2,1H3
InChIKeyOYGHUJBAZCDWMC-UHFFFAOYSA-N
XLogP3.04
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2498970) is 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(Cl)cc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OYGHUJBAZCDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-13-2-3-14(19)10-16(13)22-6-4-21(5-7-22)12-15-11-17(24)23-8-9-25-18(23)20-15/h2-3,8-11H,4-7,12H2,1H3.
What are the key properties of 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 374.90 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2498970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).