2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol

C8H11F3N2OS — CID 133365985

IUPAC2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-2-5(3-14)12-7-13-6(4-15-7)8(9,10)11/h4-5,14H,2-3H2,1H3,(H,12,13)
InChIKeyFQOKMUFPXFFELV-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.34
Rot. Bonds4

About 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol

2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol (PubChem CID 133365985) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
PubChem CID133365985
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-2-5(3-14)12-7-13-6(4-15-7)8(9,10)11/h4-5,14H,2-3H2,1H3,(H,12,13)
InChIKeyFQOKMUFPXFFELV-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 84761744
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 138018973
N-pentan-3-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 58745672
4-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]benzonitrile
CID 138043177
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 75418910
1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
CID 84591027
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol (CID 133365985) is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol is CCC(CO)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol?
The InChIKey is FQOKMUFPXFFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-2-5(3-14)12-7-13-6(4-15-7)8(9,10)11/h4-5,14H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol?
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol has a molecular weight of 240.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol is sourced from PubChem (CID 133365985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).