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

C14H17ClN2S — CID 81353433

IUPAC(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H17ClN2S/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
InChIKeyZIRYLSDGQPWOQC-RGURZIINSA-N
MW280.82 g/mol
LogP4.52
Rot. Bonds4

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

(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81353433) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81353433
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H17ClN2S/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
InChIKeyZIRYLSDGQPWOQC-RGURZIINSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43674139
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960
4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 43681920
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
(1R)-1-(4-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81352886
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81353433) is (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cs1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is ZIRYLSDGQPWOQC-RGURZIINSA-N. The full InChI is InChI=1S/C14H17ClN2S/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-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 280.82 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81353433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).