2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol

C13H16F3N3OS — CID 167894553

IUPAC2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCc1cc(C(F)(F)F)sc1Cn1cc(CC(C)(C)O)nn1
InChIInChI=1S/C13H16F3N3OS/c1-8-4-11(13(14,15)16)21-10(8)7-19-6-9(17-18-19)5-12(2,3)20/h4,6,20H,5,7H2,1-3H3
InChIKeyIMSJUDHBKNNSPF-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol

2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 167894553) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID167894553
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC Name2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCc1cc(C(F)(F)F)sc1Cn1cc(CC(C)(C)O)nn1
InChIInChI=1S/C13H16F3N3OS/c1-8-4-11(13(14,15)16)21-10(8)7-19-6-9(17-18-19)5-12(2,3)20/h4,6,20H,5,7H2,1-3H3
InChIKeyIMSJUDHBKNNSPF-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-(3,5-Dimethylthiophen-2-yl)triazol-1-yl]-5,5,5-trifluoropentan-2-one
CID 58458851
[1-[3-Butyl-5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
CID 130321114
4-{5-[1-(2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl]-2-thienyl}-2-methylbut-3-yn-2-ol
CID 72933572
1-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 154782174
2-[1-[1-[(2,5-Dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 154885739
3-[[1-[(3-Fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
CID 166241841
(S)-cyclopropyl-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]methanol
CID 167862096
1-[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 167898065
2-[1-[[3-Methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]ethanol
CID 167913071
2-(1-{1-[(2,5-dimethyl-3-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)-2-propanol trifluoroacetate (salt)
CID 29085910
2-[1-(Thiophen-2-ylmethyl)triazol-4-yl]ethanol
CID 62399436
2-[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol (CID 167894553) is 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol is Cc1cc(C(F)(F)F)sc1Cn1cc(CC(C)(C)O)nn1.
What is the InChIKey of 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is IMSJUDHBKNNSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-8-4-11(13(14,15)16)21-10(8)7-19-6-9(17-18-19)5-12(2,3)20/h4,6,20H,5,7H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol?
2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol has a molecular weight of 319.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 167894553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).