(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol

C12H13NOS — CID 102442271

IUPAC(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc([C@H](C)O)cs2)cc1
InChIInChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyGYEPNPFZHQILDV-VIFPVBQESA-N
MW219.31 g/mol
LogP3.17
Rot. Bonds2

About (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol

(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 102442271) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID102442271
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc([C@H](C)O)cs2)cc1
InChIInChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyGYEPNPFZHQILDV-VIFPVBQESA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544117
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
1-[2-(N,4-dimethylanilino)-1,3-thiazol-4-yl]ethanol
CID 64543596
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 103083716
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
CID 134369302
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544730
N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 116965441
[(2R)-3-oxobutan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 39967446

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol (CID 102442271) is (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol is Cc1ccc(-c2nc([C@H](C)O)cs2)cc1.
What is the InChIKey of (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is GYEPNPFZHQILDV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol?
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 219.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 102442271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).