2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C14H17FN2S — CID 114872618

IUPAC2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(N)(Cc1nc(C)cs1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-3-14(16,8-13-17-10(2)9-18-13)11-5-4-6-12(15)7-11/h4-7,9H,3,8,16H2,1-2H3
InChIKeyDUVHUMAOOMOJEV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 114872618) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID114872618
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(N)(Cc1nc(C)cs1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-3-14(16,8-13-17-10(2)9-18-13)11-5-4-6-12(15)7-11/h4-7,9H,3,8,16H2,1-2H3
InChIKeyDUVHUMAOOMOJEV-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-pyridin-3-ylbutan-2-amine
CID 114872773
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872708
1-(3-bromo-5-fluorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872661
2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 114872632
2-(3-fluorophenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 114872762
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
ethyl 2-(aminomethyl)-3-(4-methyl-1,3-thiazol-2-yl)-2-phenylpropanoate
CID 106509533
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977
1-(2-chloro-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 102618830

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 114872618) is 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CCC(N)(Cc1nc(C)cs1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is DUVHUMAOOMOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-14(16,8-13-17-10(2)9-18-13)11-5-4-6-12(15)7-11/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 114872618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).