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

C16H21FN2S — CID 79441697

IUPACN-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCC(CCc1scnc1C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-3-18-10-14(13-4-7-15(17)8-5-13)6-9-16-12(2)19-11-20-16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3
InChIKeyWPMFQBGKIKFHBL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.92
Rot. Bonds7

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

N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 79441697) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID79441697
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCC(CCc1scnc1C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-3-18-10-14(13-4-7-15(17)8-5-13)6-9-16-12(2)19-11-20-16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3
InChIKeyWPMFQBGKIKFHBL-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
4-tert-butylsulfonyl-N-ethyl-2-(4-fluorophenyl)butan-1-amine
CID 106730134
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
2-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62529443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 79441697) is N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CCNCC(CCc1scnc1C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is WPMFQBGKIKFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-18-10-14(13-4-7-15(17)8-5-13)6-9-16-12(2)19-11-20-16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 79441697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).