2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C14H18ClN5S — CID 133476665

IUPAC2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(Cl)cc(N2CCN(C(C)c3nccs3)CC2)n1
InChIInChI=1S/C14H18ClN5S/c1-10(14-16-3-8-21-14)19-4-6-20(7-5-19)13-9-12(15)17-11(2)18-13/h3,8-10H,4-7H2,1-2H3
InChIKeyDCXTUMWTOYUFCF-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.78
Rot. Bonds3

About 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476665) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476665
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(Cl)cc(N2CCN(C(C)c3nccs3)CC2)n1
InChIInChI=1S/C14H18ClN5S/c1-10(14-16-3-8-21-14)19-4-6-20(7-5-19)13-9-12(15)17-11(2)18-13/h3,8-10H,4-7H2,1-2H3
InChIKeyDCXTUMWTOYUFCF-UHFFFAOYSA-N
XLogP2.78
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 133476730
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133476408
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
2-methyl-4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 133476643
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476665) is 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is Cc1nc(Cl)cc(N2CCN(C(C)c3nccs3)CC2)n1.
What is the InChIKey of 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is DCXTUMWTOYUFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-10(14-16-3-8-21-14)19-4-6-20(7-5-19)13-9-12(15)17-11(2)18-13/h3,8-10H,4-7H2,1-2H3.
What are the key properties of 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 323.85 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).