4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

C10H15F3N2S — CID 115726994

IUPAC4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCc1cnc(C(C)NC(C)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(4-10(11,12)13)15-8(3)9-14-5-7(2)16-9/h5-6,8,15H,4H2,1-3H3
InChIKeyLVRNFDUMVWHIPK-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.44
Rot. Bonds4

About 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (PubChem CID 115726994) has the molecular formula C10H15F3N2S and a molecular weight of 252.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
PubChem CID115726994
Molecular FormulaC10H15F3N2S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCc1cnc(C(C)NC(C)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(4-10(11,12)13)15-8(3)9-14-5-7(2)16-9/h5-6,8,15H,4H2,1-3H3
InChIKeyLVRNFDUMVWHIPK-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103788099
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 112700494
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 112700535

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (CID 115726994) is 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is Cc1cnc(C(C)NC(C)CC(F)(F)F)s1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The InChIKey is LVRNFDUMVWHIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(4-10(11,12)13)15-8(3)9-14-5-7(2)16-9/h5-6,8,15H,4H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115726994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).