3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol

C11H11N3OS — CID 3913450

IUPAC3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
SMILESCC1Cn2c(nnc2-c2cccc(O)c2)S1
InChIInChI=1S/C11H11N3OS/c1-7-6-14-10(12-13-11(14)16-7)8-3-2-4-9(15)5-8/h2-5,7,15H,6H2,1H3
InChIKeyQIFXHKWRDDZATG-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.14
Rot. Bonds1

About 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol

3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol (PubChem CID 3913450) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol.

Molecular Properties

Compound Name3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
PubChem CID3913450
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
SMILESCC1Cn2c(nnc2-c2cccc(O)c2)S1
InChIInChI=1S/C11H11N3OS/c1-7-6-14-10(12-13-11(14)16-7)8-3-2-4-9(15)5-8/h2-5,7,15H,6H2,1H3
InChIKeyQIFXHKWRDDZATG-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-Dihydro-6-methylthiazolo(2,3-c)-1,2,4-triazol-3-yl)phenol
CID 355466
4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 865786
[5-(2-Hydroxy-phenyl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 653578
3-(6,6-Dimethyl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
CID 664953
[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
CID 649373
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 649850
2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 645077
3-(6-Methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-naphthol
CID 2974397
[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 3168998
[5-(2-Hydroxy-phenyl)-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 655666
2-[5-Methylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]phenol
CID 863600
Methyl 2-{[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-YL]sulfanyl}acetate
CID 865948

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol?
The IUPAC name of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol (CID 3913450) is 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol.
What is the SMILES notation for 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol?
The canonical SMILES for 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol is CC1Cn2c(nnc2-c2cccc(O)c2)S1.
What is the InChIKey of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol?
The InChIKey is QIFXHKWRDDZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-6-14-10(12-13-11(14)16-7)8-3-2-4-9(15)5-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol?
3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol has a molecular weight of 233.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol is sourced from PubChem (CID 3913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).