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

C9H13F3N2OS — CID 106783651

IUPAC3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCOC(C)CC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-5(15-2)3-6(13)7-4-14-8(16-7)9(10,11)12/h4-6H,3,13H2,1-2H3
InChIKeyIVTDMRSLXGTWLX-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.59
Rot. Bonds4

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

3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106783651) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106783651
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCOC(C)CC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-5(15-2)3-6(13)7-4-14-8(16-7)9(10,11)12/h4-6H,3,13H2,1-2H3
InChIKeyIVTDMRSLXGTWLX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 60982523
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80477857
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80478980
1-(1,3-Thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148136
N-methyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148397
N-ethyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148608
N-propyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148763
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149034
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149364
4-(2,2-difluoroethoxy)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149976
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 103150128

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106783651) is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is COC(C)CC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is IVTDMRSLXGTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-5(15-2)3-6(13)7-4-14-8(16-7)9(10,11)12/h4-6H,3,13H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 254.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106783651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).