1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol

C7H9F3N2OS — CID 130617285

IUPAC1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-4(13)2-11-6-12-3-5(14-6)7(8,9)10/h3-4,13H,2H2,1H3,(H,11,12)
InChIKeyUBWCIYMRCCLWFA-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.95
Rot. Bonds3

About 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol

1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol (PubChem CID 130617285) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
PubChem CID130617285
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-4(13)2-11-6-12-3-5(14-6)7(8,9)10/h3-4,13H,2H2,1H3,(H,11,12)
InChIKeyUBWCIYMRCCLWFA-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 130637982
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
(Z)-4-[[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]hex-4-en-3-one
CID 123293568
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
CID 100767989
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
5-bromo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-4-carboxamide
CID 166258519
3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide
CID 166330186
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 156853166

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol (CID 130617285) is 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol is CC(O)CNc1ncc(C(F)(F)F)s1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The InChIKey is UBWCIYMRCCLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-4(13)2-11-6-12-3-5(14-6)7(8,9)10/h3-4,13H,2H2,1H3,(H,11,12).
What are the key properties of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol has a molecular weight of 226.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 130617285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).