3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride

C9H14ClF3N2OS — CID 115592463

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCCc1nc(CNCC(O)C(F)(F)F)cs1.Cl
InChIInChI=1S/C9H13F3N2OS.ClH/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12;/h5,7,13,15H,2-4H2,1H3;1H
InChIKeyLGOUCBASRBWSAG-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.14
Rot. Bonds5

About 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 115592463) has the molecular formula C9H14ClF3N2OS and a molecular weight of 290.74 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID115592463
Molecular FormulaC9H14ClF3N2OS
Molecular Weight290.74 g/mol
Exact Mass290.05
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCCc1nc(CNCC(O)C(F)(F)F)cs1.Cl
InChIInChI=1S/C9H13F3N2OS.ClH/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12;/h5,7,13,15H,2-4H2,1H3;1H
InChIKeyLGOUCBASRBWSAG-UHFFFAOYSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride with MolForge

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
CID 115654661
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 102609934
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 115592463) is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride is CCc1nc(CNCC(O)C(F)(F)F)cs1.Cl.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is LGOUCBASRBWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS.ClH/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12;/h5,7,13,15H,2-4H2,1H3;1H.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 115592463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).