(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride

C13H17ClN2S — CID 156873324

IUPAC(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
SMILESCN[C@@H](C)c1ccc(-c2scnc2C)cc1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-9(14-3)11-4-6-12(7-5-11)13-10(2)15-8-16-13;/h4-9,14H,1-3H3;1H/t9-;/m0./s1
InChIKeyDPAWBJWYWMFMRH-FVGYRXGTSA-N
MW268.81 g/mol
LogP3.82
Rot. Bonds3

About (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride

(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride (PubChem CID 156873324) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
PubChem CID156873324
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
SMILESCN[C@@H](C)c1ccc(-c2scnc2C)cc1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-9(14-3)11-4-6-12(7-5-11)13-10(2)15-8-16-13;/h4-9,14H,1-3H3;1H/t9-;/m0./s1
InChIKeyDPAWBJWYWMFMRH-FVGYRXGTSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
N-methyl-2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propoxy]ethoxy]ethoxy]ethanamine
CID 146179209
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride (CID 156873324) is (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride is CN[C@@H](C)c1ccc(-c2scnc2C)cc1.Cl.
What is the InChIKey of (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride?
The InChIKey is DPAWBJWYWMFMRH-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c1-9(14-3)11-4-6-12(7-5-11)13-10(2)15-8-16-13;/h4-9,14H,1-3H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride?
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 156873324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).