2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride

C14H19ClF3N5S — CID 120967369

IUPAC2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1.Cl
InChIInChI=1S/C14H18F3N5S.ClH/c1-9-20-12(14(15,16)17)11(23-9)8-22-6-3-18-7-10(22)13-19-4-5-21(13)2;/h4-5,10,18H,3,6-8H2,1-2H3;1H
InChIKeyGYQMHTSQSXMIJZ-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride

2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120967369) has the molecular formula C14H19ClF3N5S and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120967369
Molecular FormulaC14H19ClF3N5S
Molecular Weight381.86 g/mol
Exact Mass381.10
IUPAC Name2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1.Cl
InChIInChI=1S/C14H18F3N5S.ClH/c1-9-20-12(14(15,16)17)11(23-9)8-22-6-3-18-7-10(22)13-19-4-5-21(13)2;/h4-5,10,18H,3,6-8H2,1-2H3;1H
InChIKeyGYQMHTSQSXMIJZ-UHFFFAOYSA-N
XLogP2.77
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120967369) is 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1.Cl.
What is the InChIKey of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is GYQMHTSQSXMIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5S.ClH/c1-9-20-12(14(15,16)17)11(23-9)8-22-6-3-18-7-10(22)13-19-4-5-21(13)2;/h4-5,10,18H,3,6-8H2,1-2H3;1H.
What are the key properties of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride?
2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120967369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).