(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C10H16F3N3OS — CID 51922108

IUPAC(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)c1ncc([C@](O)(CN)C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-3-16(4-2)8-15-5-7(18-8)9(17,6-14)10(11,12)13/h5,17H,3-4,6,14H2,1-2H3/t9-/m1/s1
InChIKeyJOCCGHWDGCGLKQ-SECBINFHSA-N
MW283.32 g/mol
LogP1.70
Rot. Bonds5

About (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol

(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 51922108) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID51922108
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)c1ncc([C@](O)(CN)C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-3-16(4-2)8-15-5-7(18-8)9(17,6-14)10(11,12)13/h5,17H,3-4,6,14H2,1-2H3/t9-/m1/s1
InChIKeyJOCCGHWDGCGLKQ-SECBINFHSA-N
XLogP1.70
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 51922108) is (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol is CCN(CC)c1ncc([C@](O)(CN)C(F)(F)F)s1.
What is the InChIKey of (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is JOCCGHWDGCGLKQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-3-16(4-2)8-15-5-7(18-8)9(17,6-14)10(11,12)13/h5,17H,3-4,6,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 283.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-[2-(diethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 51922108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).