2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol

C13H16N2OS — CID 43392287

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
SMILESCc1nc(CNCC(O)c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-8-13(16)11-5-3-2-4-6-11/h2-6,9,13-14,16H,7-8H2,1H3
InChIKeyPYMNLECYPJWGQE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol (PubChem CID 43392287) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
PubChem CID43392287
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
SMILESCc1nc(CNCC(O)c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-8-13(16)11-5-3-2-4-6-11/h2-6,9,13-14,16H,7-8H2,1H3
InChIKeyPYMNLECYPJWGQE-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol (CID 43392287) is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol is Cc1nc(CNCC(O)c2ccccc2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol?
The InChIKey is PYMNLECYPJWGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)7-14-8-13(16)11-5-3-2-4-6-11/h2-6,9,13-14,16H,7-8H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol?
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol has a molecular weight of 248.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 43392287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).