5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C16H18ClF3N4S — CID 166601215

IUPAC5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1
InChIInChI=1S/C16H18ClF3N4S/c1-10-14(25-11(2)22-10)9-23-3-5-24(6-4-23)15-13(17)7-12(8-21-15)16(18,19)20/h7-8H,3-6,9H2,1-2H3
InChIKeyYAPPGIYSIKOFTL-UHFFFAOYSA-N
MW390.86 g/mol
LogP4.15
Rot. Bonds3

About 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 166601215) has the molecular formula C16H18ClF3N4S and a molecular weight of 390.86 g/mol. Its IUPAC name is 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID166601215
Molecular FormulaC16H18ClF3N4S
Molecular Weight390.86 g/mol
Exact Mass390.09
IUPAC Name5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1
InChIInChI=1S/C16H18ClF3N4S/c1-10-14(25-11(2)22-10)9-23-3-5-24(6-4-23)15-13(17)7-12(8-21-15)16(18,19)20/h7-8H,3-6,9H2,1-2H3
InChIKeyYAPPGIYSIKOFTL-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 166601215) is 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1.
What is the InChIKey of 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is YAPPGIYSIKOFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4S/c1-10-14(25-11(2)22-10)9-23-3-5-24(6-4-23)15-13(17)7-12(8-21-15)16(18,19)20/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 390.86 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 166601215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).