(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

C14H17FN2S — CID 81365857

IUPAC(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-9(12-5-4-6-13(15)7-12)17-11(3)14-10(2)16-8-18-14/h4-9,11,17H,1-3H3/t9-,11?/m0/s1
InChIKeyWUJYLOGTPNONLP-FTNKSUMCSA-N
MW264.37 g/mol
LogP4.00
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 81365857) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID81365857
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-9(12-5-4-6-13(15)7-12)17-11(3)14-10(2)16-8-18-14/h4-9,11,17H,1-3H3/t9-,11?/m0/s1
InChIKeyWUJYLOGTPNONLP-FTNKSUMCSA-N
XLogP4.00
TPSA24.92 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710
1-(3-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863728
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43781500
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 81365857) is (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ncsc1C(C)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is WUJYLOGTPNONLP-FTNKSUMCSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(12-5-4-6-13(15)7-12)17-11(3)14-10(2)16-8-18-14/h4-9,11,17H,1-3H3/t9-,11?/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81365857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).