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

C15H13N3OS — CID 2974397

IUPAC3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol
SMILESCC1Cn2c(nnc2-c2cc3ccccc3cc2O)S1
InChIInChI=1S/C15H13N3OS/c1-9-8-18-14(16-17-15(18)20-9)12-6-10-4-2-3-5-11(10)7-13(12)19/h2-7,9,19H,8H2,1H3
InChIKeyQTSVSHZDVQRJCV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds1

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

3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol (PubChem CID 2974397) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol
PubChem CID2974397
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol
SMILESCC1Cn2c(nnc2-c2cc3ccccc3cc2O)S1
InChIInChI=1S/C15H13N3OS/c1-9-8-18-14(16-17-15(18)20-9)12-6-10-4-2-3-5-11(10)7-13(12)19/h2-7,9,19H,8H2,1H3
InChIKeyQTSVSHZDVQRJCV-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
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
2-[4-Ethyl-5-(3-hydroxy-naphthalen-2-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
CID 649430
N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
CID 645573
2-[4-Ethyl-5-(3-hydroxy-naphthalen-2-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 646278
2-[5-(3-Hydroxy-naphthalen-2-yl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649665
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
CID 651108
2-[5-(3-Hydroxy-naphthalen-2-yl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
CID 656363
3-(6,6-Dimethyl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
CID 664953
3-[6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]naphthalen-2-ol
CID 135733008
3-(6-Methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
CID 3913450
2-[6-(Naphthalen-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol
CID 136241470
3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
CID 135506852

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)naphthalen-2-ol?
The IUPAC name of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol (CID 2974397) is 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol?
The canonical SMILES for 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol is CC1Cn2c(nnc2-c2cc3ccccc3cc2O)S1.
What is the InChIKey of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol?
The InChIKey is QTSVSHZDVQRJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-8-18-14(16-17-15(18)20-9)12-6-10-4-2-3-5-11(10)7-13(12)19/h2-7,9,19H,8H2,1H3.
What are the key properties of 3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol?
3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)naphthalen-2-ol has a molecular weight of 283.36 g/mol, XLogP of 3.30, 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)naphthalen-2-ol is sourced from PubChem (CID 2974397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).