(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

C14H17FN2S — CID 81346960

IUPAC(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2S/c1-9(12-4-6-13(15)7-5-12)16-10(2)14-8-18-11(3)17-14/h4-10,16H,1-3H3/t9-,10?/m0/s1
InChIKeyAGUOCXQTWHSINK-RGURZIINSA-N
MW264.37 g/mol
LogP4.00
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81346960) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81346960
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2S/c1-9(12-4-6-13(15)7-5-12)16-10(2)14-8-18-11(3)17-14/h4-10,16H,1-3H3/t9-,10?/m0/s1
InChIKeyAGUOCXQTWHSINK-RGURZIINSA-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-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81353433
1-(4-tert-butylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43674139
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 43681920
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81346960) is (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)N[C@@H](C)c2ccc(F)cc2)cs1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is AGUOCXQTWHSINK-RGURZIINSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(12-4-6-13(15)7-5-12)16-10(2)14-8-18-11(3)17-14/h4-10,16H,1-3H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-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-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81346960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).