(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol

C13H15NOS — CID 129323058

IUPAC(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc([C@@H](O)c2ccc(C)c(C)c2)sn1
InChIInChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)13(15)12-7-10(3)14-16-12/h4-7,13,15H,1-3H3/t13-/m0/s1
InChIKeyJDQZOBNBRCKZDH-ZDUSSCGKSA-N
MW233.34 g/mol
LogP3.15
Rot. Bonds2

About (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol

(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol (PubChem CID 129323058) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
PubChem CID129323058
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc([C@@H](O)c2ccc(C)c(C)c2)sn1
InChIInChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)13(15)12-7-10(3)14-16-12/h4-7,13,15H,1-3H3/t13-/m0/s1
InChIKeyJDQZOBNBRCKZDH-ZDUSSCGKSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
CID 105091691
(R)-(4-cyclohexylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 125494876
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(2-methylfuran-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130906086
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63749459

Frequently Asked Questions

What is the IUPAC name of (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol (CID 129323058) is (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol is Cc1cc([C@@H](O)c2ccc(C)c(C)c2)sn1.
What is the InChIKey of (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The InChIKey is JDQZOBNBRCKZDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)13(15)12-7-10(3)14-16-12/h4-7,13,15H,1-3H3/t13-/m0/s1.
What are the key properties of (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol?
(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol has a molecular weight of 233.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 129323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).