3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol

C19H15N3O2S — CID 57394591

IUPAC3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
SMILESCn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C19H15N3O2S/c1-22-19(20-18(21-22)13-5-3-7-15(24)11-13)17-9-8-16(25-17)12-4-2-6-14(23)10-12/h2-11,23-24H,1H3
InChIKeyMBLPQOMRDUHJFX-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.29
Rot. Bonds3

About 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol

3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol (PubChem CID 57394591) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
PubChem CID57394591
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
SMILESCn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C19H15N3O2S/c1-22-19(20-18(21-22)13-5-3-7-15(24)11-13)17-9-8-16(25-17)12-4-2-6-14(23)10-12/h2-11,23-24H,1H3
InChIKeyMBLPQOMRDUHJFX-UHFFFAOYSA-N
XLogP4.29
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[4-[5-(3-Hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol
CID 57391070
4-[5-[5-(2-Chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-methylthiophen-3-yl]phenol
CID 22065139
4-[4-Chloro-5-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
CID 135724451
4-[5-[5-(2-Chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-2,4-dimethylthiophen-3-yl]phenol
CID 76308250
3-(2,6-Difluorophenyl)-1-methyl-5-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]-1,2,4-triazole
CID 76308264
3-[5-[5-(2-Chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-methylthiophen-2-yl]phenol
CID 76311897
3-(2,6-Difluorophenyl)-5-[5-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-1,2,4-triazole
CID 76315455
3-(2,6-Difluorophenyl)-5-[4-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-1,2,4-triazole
CID 76326346
4-[5-[5-(2-Chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-methylthiophen-2-yl]phenol
CID 136249271
4-[3-Chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
CID 22065183
3-(2-Chloro-6-fluorophenyl)-5-[5-(4-hydroxyphenyl)-4-methylthien-3-yl]-1-methyl-1H-1,2,4-triazole
CID 22065189

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol?
The IUPAC name of 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol (CID 57394591) is 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol?
The canonical SMILES for 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol is Cn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol?
The InChIKey is MBLPQOMRDUHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-22-19(20-18(21-22)13-5-3-7-15(24)11-13)17-9-8-16(25-17)12-4-2-6-14(23)10-12/h2-11,23-24H,1H3.
What are the key properties of 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol?
3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol has a molecular weight of 349.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol is sourced from PubChem (CID 57394591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).