2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole

C12H13NS — CID 175886345

IUPAC2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
SMILESCc1ccc([C@@H](C)c2nccs2)cc1
InChIInChI=1S/C12H13NS/c1-9-3-5-11(6-4-9)10(2)12-13-7-8-14-12/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyZRMIONCDWBRSGH-SNVBAGLBSA-N
MW203.31 g/mol
LogP3.60
Rot. Bonds2

About 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole

2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole (PubChem CID 175886345) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
PubChem CID175886345
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
SMILESCc1ccc([C@@H](C)c2nccs2)cc1
InChIInChI=1S/C12H13NS/c1-9-3-5-11(6-4-9)10(2)12-13-7-8-14-12/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyZRMIONCDWBRSGH-SNVBAGLBSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 114172177
1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
CID 106313186
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
CID 174470496
5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid
CID 69005170
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
3-(1,3-thiazol-2-yl)butane-2-thiol
CID 146833908
2-(3-chlorobutan-2-yl)-1,3-thiazole
CID 63202984
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole (CID 175886345) is 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole is Cc1ccc([C@@H](C)c2nccs2)cc1.
What is the InChIKey of 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole?
The InChIKey is ZRMIONCDWBRSGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-3-5-11(6-4-9)10(2)12-13-7-8-14-12/h3-8,10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole?
2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 175886345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).