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

C13H10N2OS2 — CID 136969519

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2csc(-c3ccc(O)cc3)n2)cs1
InChIInChI=1S/C13H10N2OS2/c1-8-14-11(6-17-8)12-7-18-13(15-12)9-2-4-10(16)5-3-9/h2-7,16H,1H3
InChIKeyPKWNIXLYHVLNHT-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.95
Rot. Bonds2

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

4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 136969519) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
PubChem CID136969519
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2csc(-c3ccc(O)cc3)n2)cs1
InChIInChI=1S/C13H10N2OS2/c1-8-14-11(6-17-8)12-7-18-13(15-12)9-2-4-10(16)5-3-9/h2-7,16H,1H3
InChIKeyPKWNIXLYHVLNHT-UHFFFAOYSA-N
XLogP3.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 137047911
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
CID 136907983
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 136794251
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
CID 83794182
3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135528630

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol (CID 136969519) is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol is Cc1nc(-c2csc(-c3ccc(O)cc3)n2)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is PKWNIXLYHVLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-14-11(6-17-8)12-7-18-13(15-12)9-2-4-10(16)5-3-9/h2-7,16H,1H3.
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol?
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 274.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136969519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).