1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol

C12H13NOS — CID 62651210

IUPAC1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1cccc(-c2ncc(C(C)O)s2)c1
InChIInChI=1S/C12H13NOS/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyCJEYTYTXLHHFDD-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.17
Rot. Bonds2

About 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol

1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 62651210) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID62651210
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1cccc(-c2ncc(C(C)O)s2)c1
InChIInChI=1S/C12H13NOS/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3
InChIKeyCJEYTYTXLHHFDD-UHFFFAOYSA-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-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
3-[4-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]benzoic acid
CID 138045603
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
2-[2-(3-methylphenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091749
1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
CID 115087082
N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
CID 141103753
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 63035079
2-(3-methylphenyl)-1,3-thiazole-4,5-diol
CID 174799020
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol (CID 62651210) is 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol is Cc1cccc(-c2ncc(C(C)O)s2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is CJEYTYTXLHHFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-4-3-5-10(6-8)12-13-7-11(15-12)9(2)14/h3-7,9,14H,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(3-methylphenyl)-1,3-thiazol-5-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 1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62651210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).