3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol

C13H12N4O2S — CID 107921085

IUPAC3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1snc(C)c1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H12N4O2S/c1-7-10(13(14-2)20-17-7)12-15-11(16-19-12)8-4-3-5-9(18)6-8/h3-6,14,18H,1-2H3
InChIKeyFVTIWRNKIJYLNK-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.92
Rot. Bonds3

About 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921085) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921085
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1snc(C)c1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H12N4O2S/c1-7-10(13(14-2)20-17-7)12-15-11(16-19-12)8-4-3-5-9(18)6-8/h3-6,14,18H,1-2H3
InChIKeyFVTIWRNKIJYLNK-UHFFFAOYSA-N
XLogP2.92
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392299
N,3-dimethyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2-thiazol-5-amine
CID 79391228
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107923395
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol (CID 107921085) is 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol is CNc1snc(C)c1-c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is FVTIWRNKIJYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-10(13(14-2)20-17-7)12-15-11(16-19-12)8-4-3-5-9(18)6-8/h3-6,14,18H,1-2H3.
What are the key properties of 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 288.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).