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

C14H18F3N5S — CID 120967370

IUPAC2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1
InChIInChI=1S/C14H18F3N5S/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
InChIKeyGFCLUEKEMULNRZ-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.35
Rot. Bonds3

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

2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 120967370) has the molecular formula C14H18F3N5S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID120967370
Molecular FormulaC14H18F3N5S
Molecular Weight345.39 g/mol
Exact Mass345.12
IUPAC Name2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1
InChIInChI=1S/C14H18F3N5S/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
InChIKeyGFCLUEKEMULNRZ-UHFFFAOYSA-N
XLogP2.35
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 16227799
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929172
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
(2S)-4-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 95206783
3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 97066979
(1S)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97603277
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 125440368
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 125441890
(1S)-1-(5-chloro-1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 129559591
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 164633880
2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 90054393

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?
The IUPAC name of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 120967370) is 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CN2CCNCC2c2nccn2C)s1.
What is the InChIKey of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GFCLUEKEMULNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5S/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.
What are the key properties of 2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 345.39 g/mol, XLogP of 2.35, 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 is sourced from PubChem (CID 120967370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).