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

C9H13F3N2OS — CID 103625343

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(CNCC(O)C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12/h5,7,13,15H,2-4H2,1H3
InChIKeyAIDQDBVSUACZLG-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.72
Rot. Bonds5

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

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103625343) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103625343
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(CNCC(O)C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12/h5,7,13,15H,2-4H2,1H3
InChIKeyAIDQDBVSUACZLG-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 103625343) is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol is CCc1nc(CNCC(O)C(F)(F)F)cs1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is AIDQDBVSUACZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-2-8-14-6(5-16-8)3-13-4-7(15)9(10,11)12/h5,7,13,15H,2-4H2,1H3.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.28 g/mol, XLogP of 1.72, 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 is sourced from PubChem (CID 103625343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).