(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol

C11H16F3N3O2S — CID 164642474

IUPAC(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
SMILESO[C@@H](CNc1nc(C(F)(F)F)cs1)CN1CCOCC1
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)9-7-20-10(16-9)15-5-8(18)6-17-1-3-19-4-2-17/h7-8,18H,1-6H2,(H,15,16)/t8-/m0/s1
InChIKeyHAUPEGRCWAZEPF-QMMMGPOBSA-N
MW311.33 g/mol
LogP1.27
Rot. Bonds5

About (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol

(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol (PubChem CID 164642474) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
PubChem CID164642474
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
SMILESO[C@@H](CNc1nc(C(F)(F)F)cs1)CN1CCOCC1
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)9-7-20-10(16-9)15-5-8(18)6-17-1-3-19-4-2-17/h7-8,18H,1-6H2,(H,15,16)/t8-/m0/s1
InChIKeyHAUPEGRCWAZEPF-QMMMGPOBSA-N
XLogP1.27
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol (CID 164642474) is (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol is O[C@@H](CNc1nc(C(F)(F)F)cs1)CN1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
The InChIKey is HAUPEGRCWAZEPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c12-11(13,14)9-7-20-10(16-9)15-5-8(18)6-17-1-3-19-4-2-17/h7-8,18H,1-6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol?
(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol has a molecular weight of 311.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 164642474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).