4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

C9H13F3N2OS — CID 106782361

IUPAC4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCOCCC(C)(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-8(13,3-4-15-2)6-5-14-7(16-6)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyYSUIVZYFVSTWNO-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.37
Rot. Bonds4

About 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (PubChem CID 106782361) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
PubChem CID106782361
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCOCCC(C)(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-8(13,3-4-15-2)6-5-14-7(16-6)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyYSUIVZYFVSTWNO-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (CID 106782361) is 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is COCCC(C)(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The InChIKey is YSUIVZYFVSTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-8(13,3-4-15-2)6-5-14-7(16-6)9(10,11)12/h5H,3-4,13H2,1-2H3.
What are the key properties of 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 106782361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).