7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H16ClN5OS — CID 18136686

IUPAC7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3nccs3)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H16ClN5OS/c17-12-1-2-14-19-13(9-15(23)22(14)10-12)11-20-4-6-21(7-5-20)16-18-3-8-24-16/h1-3,8-10H,4-7,11H2
InChIKeyJILDHTRZVAGTRV-UHFFFAOYSA-N
MW361.86 g/mol
LogP2.13
Rot. Bonds3

About 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18136686) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18136686
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3nccs3)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H16ClN5OS/c17-12-1-2-14-19-13(9-15(23)22(14)10-12)11-20-4-6-21(7-5-20)16-18-3-8-24-16/h1-3,8-10H,4-7,11H2
InChIKeyJILDHTRZVAGTRV-UHFFFAOYSA-N
XLogP2.13
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 18136686) is 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCN(c3nccs3)CC2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JILDHTRZVAGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c17-12-1-2-14-19-13(9-15(23)22(14)10-12)11-20-4-6-21(7-5-20)16-18-3-8-24-16/h1-3,8-10H,4-7,11H2.
What are the key properties of 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.86 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18136686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).