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

C18H18Cl2N4OS — CID 17382749

IUPAC7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc2sccn12
InChIInChI=1S/C18H18Cl2N4OS/c19-14-2-1-13(16(20)9-14)11-22-3-5-23(6-4-22)12-15-10-17(25)24-7-8-26-18(24)21-15/h1-2,7-10H,3-6,11-12H2
InChIKeyBVKUALPWEMBXFL-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.38
Rot. Bonds4

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

7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17382749) has the molecular formula C18H18Cl2N4OS and a molecular weight of 409.34 g/mol. Its IUPAC name is 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17382749
Molecular FormulaC18H18Cl2N4OS
Molecular Weight409.34 g/mol
Exact Mass408.06
IUPAC Name7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc2sccn12
InChIInChI=1S/C18H18Cl2N4OS/c19-14-2-1-13(16(20)9-14)11-22-3-5-23(6-4-22)12-15-10-17(25)24-7-8-26-18(24)21-15/h1-2,7-10H,3-6,11-12H2
InChIKeyBVKUALPWEMBXFL-UHFFFAOYSA-N
XLogP3.38
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
7-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55433843
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46657670
7-[[4-(5-chloro-2-nitrobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112800794
7-[[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656410
7-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42948142
7-[[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51313958
7-[[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920574
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
7-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51257557

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17382749) is 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BVKUALPWEMBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4OS/c19-14-2-1-13(16(20)9-14)11-22-3-5-23(6-4-22)12-15-10-17(25)24-7-8-26-18(24)21-15/h1-2,7-10H,3-6,11-12H2.
What are the key properties of 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 409.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17382749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).