3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol

C12H9NOS — CID 11708325

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol
SMILESCc1nc(C#Cc2cccc(O)c2)cs1
InChIInChI=1S/C12H9NOS/c1-9-13-11(8-15-9)6-5-10-3-2-4-12(14)7-10/h2-4,7-8,14H,1H3
InChIKeyHMWLZOIKORRPSN-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.56
Rot. Bonds

About 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol

3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol (PubChem CID 11708325) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol
PubChem CID11708325
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol
SMILESCc1nc(C#Cc2cccc(O)c2)cs1
InChIInChI=1S/C12H9NOS/c1-9-13-11(8-15-9)6-5-10-3-2-4-12(14)7-10/h2-4,7-8,14H,1H3
InChIKeyHMWLZOIKORRPSN-UHFFFAOYSA-N
XLogP2.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-Methoxyphenylethynyl)-2-methylthiazole
CID 11564861
Thiazole, 4-(2-(2-methoxyphenyl)ethynyl)-2-methyl-
CID 11665793
2-(Fluoromethyl)4-(2-(3-methoxyphenyl)ethynyl)thiazole
CID 16737209
2-Fluoro-4-((3-methoxyphenyl)ethynyl)thiazole
CID 51050259
2-Methyl-4-[[3-(trifluoromethoxy)phenyl]ethynyl]thiazole
CID 11616166
4-(4-Methyl-1,3-thiazol-2-yl)phenol
CID 4962900
2-Chloro-4-((3-methoxyphenyl)ethynyl)thiazole
CID 51050149
2-Bromo-4-((3-methoxyphenyl)ethynyl)thiazole
CID 51050251
2-Iodo-4-((3-methoxyphenyl)ethynyl)thiazole
CID 51050254
3-(1-{Ethyl[(2-methyl-1,3-thiazol-4-yl)methyl]amino}ethyl)phenol
CID 71861855
3-(2-Methylthiazol-4-yl)phenol
CID 23289294
3-(4-Methyl-1,3-thiazol-2-yl)phenol
CID 33789077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol (CID 11708325) is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol is Cc1nc(C#Cc2cccc(O)c2)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol?
The InChIKey is HMWLZOIKORRPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-9-13-11(8-15-9)6-5-10-3-2-4-12(14)7-10/h2-4,7-8,14H,1H3.
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol?
3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol has a molecular weight of 215.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenol is sourced from PubChem (CID 11708325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).