5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol

C14H15F3N2OS — CID 91279305

IUPAC5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H](c2ccccc2)C(F)(F)F)nc1O
InChIInChI=1S/C14H15F3N2OS/c1-8(2)10-12(20)19-13(21-10)18-11(14(15,16)17)9-6-4-3-5-7-9/h3-8,11,20H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeySGXIXYKGJWYKSO-NSHDSACASA-N
MW316.35 g/mol
LogP4.69
Rot. Bonds4

About 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol

5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol (PubChem CID 91279305) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol
PubChem CID91279305
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H](c2ccccc2)C(F)(F)F)nc1O
InChIInChI=1S/C14H15F3N2OS/c1-8(2)10-12(20)19-13(21-10)18-11(14(15,16)17)9-6-4-3-5-7-9/h3-8,11,20H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeySGXIXYKGJWYKSO-NSHDSACASA-N
XLogP4.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol?
The IUPAC name of 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol (CID 91279305) is 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol?
The canonical SMILES for 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol is CC(C)c1sc(N[C@@H](c2ccccc2)C(F)(F)F)nc1O.
What is the InChIKey of 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol?
The InChIKey is SGXIXYKGJWYKSO-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(2)10-12(20)19-13(21-10)18-11(14(15,16)17)9-6-4-3-5-7-9/h3-8,11,20H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol?
5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol has a molecular weight of 316.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol is sourced from PubChem (CID 91279305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).