(4-methylphenyl)-(1,2-thiazol-5-yl)methanol

C11H11NOS — CID 119094111

IUPAC(4-methylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCc1ccc(C(O)c2ccns2)cc1
InChIInChI=1S/C11H11NOS/c1-8-2-4-9(5-3-8)11(13)10-6-7-12-14-10/h2-7,11,13H,1H3
InChIKeyVZNCKNXCHOKFQK-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.53
Rot. Bonds2

About (4-methylphenyl)-(1,2-thiazol-5-yl)methanol

(4-methylphenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 119094111) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (4-methylphenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID119094111
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(4-methylphenyl)-(1,2-thiazol-5-yl)methanol
SMILESCc1ccc(C(O)c2ccns2)cc1
InChIInChI=1S/C11H11NOS/c1-8-2-4-9(5-3-8)11(13)10-6-7-12-14-10/h2-7,11,13H,1H3
InChIKeyVZNCKNXCHOKFQK-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-methylphenyl)-(1,2-thiazol-5-yl)methanol (CID 119094111) is (4-methylphenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(1,2-thiazol-5-yl)methanol is Cc1ccc(C(O)c2ccns2)cc1.
What is the InChIKey of (4-methylphenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is VZNCKNXCHOKFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-2-4-9(5-3-8)11(13)10-6-7-12-14-10/h2-7,11,13H,1H3.
What are the key properties of (4-methylphenyl)-(1,2-thiazol-5-yl)methanol?
(4-methylphenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 205.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 119094111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).