1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol

C9H13F3N2OS — CID 115777840

IUPAC1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCc1ncc(C(C)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-5(7-3-14-6(2)16-7)13-4-8(15)9(10,11)12/h3,5,8,13,15H,4H2,1-2H3
InChIKeyXOTSJNKFDFINFA-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.03
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 115777840) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol
PubChem CID115777840
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCc1ncc(C(C)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-5(7-3-14-6(2)16-7)13-4-8(15)9(10,11)12/h3,5,8,13,15H,4H2,1-2H3
InChIKeyXOTSJNKFDFINFA-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol (CID 115777840) is 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol is Cc1ncc(C(C)NCC(O)C(F)(F)F)s1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is XOTSJNKFDFINFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-5(7-3-14-6(2)16-7)13-4-8(15)9(10,11)12/h3,5,8,13,15H,4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 254.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115777840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).