(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C13H16N2S — CID 81375362

IUPAC(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cscn1
InChIInChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)14-7-12-8-16-9-15-12/h3-6,8-9,11,14H,7H2,1-2H3/t11-/m0/s1
InChIKeyIBTAZOFIULFLJC-NSHDSACASA-N
MW232.35 g/mol
LogP3.30
Rot. Bonds4

About (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 81375362) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID81375362
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cscn1
InChIInChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)14-7-12-8-16-9-15-12/h3-6,8-9,11,14H,7H2,1-2H3/t11-/m0/s1
InChIKeyIBTAZOFIULFLJC-NSHDSACASA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 61169849
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
N-(1,3-thiazol-4-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63829145
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 81375362) is (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1ccccc1[C@H](C)NCc1cscn1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is IBTAZOFIULFLJC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)14-7-12-8-16-9-15-12/h3-6,8-9,11,14H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 81375362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).