(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid

C11H17F3N2O3S — CID 161244950

IUPAC(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC[C@@H](OC)[C@H](N)Cc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2OS.C2HF3O2/c1-3-8(12-2)7(10)6-9-11-4-5-13-9;3-2(4,5)1(6)7/h4-5,7-8H,3,6,10H2,1-2H3;(H,6,7)/t7-,8-;/m1./s1
InChIKeyKSCIMTHETHKJSL-SCLLHFNJSA-N
MW314.33 g/mol
LogP2.07
Rot. Bonds5

About (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid

(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 161244950) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID161244950
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC[C@@H](OC)[C@H](N)Cc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2OS.C2HF3O2/c1-3-8(12-2)7(10)6-9-11-4-5-13-9;3-2(4,5)1(6)7/h4-5,7-8H,3,6,10H2,1-2H3;(H,6,7)/t7-,8-;/m1./s1
InChIKeyKSCIMTHETHKJSL-SCLLHFNJSA-N
XLogP2.07
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 103475809
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CID 103475939
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CID 176679504
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CID 135133070
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CID 66518201

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid (CID 161244950) is (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid is CC[C@@H](OC)[C@H](N)Cc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KSCIMTHETHKJSL-SCLLHFNJSA-N. The full InChI is InChI=1S/C9H16N2OS.C2HF3O2/c1-3-8(12-2)7(10)6-9-11-4-5-13-9;3-2(4,5)1(6)7/h4-5,7-8H,3,6,10H2,1-2H3;(H,6,7)/t7-,8-;/m1./s1.
What are the key properties of (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid?
(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 314.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161244950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).