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

C15H13N3OS — CID 713889

IUPAC3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol
SMILESC[C@H]1Cn2c(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/t9-/m0/s1
InChIKeyQTSVSHZDVQRJCV-VIFPVBQESA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds1

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

3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol (PubChem CID 713889) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol
PubChem CID713889
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol
SMILESC[C@H]1Cn2c(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/t9-/m0/s1
InChIKeyQTSVSHZDVQRJCV-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-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-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol (CID 713889) is 3-[(6S)-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-[(6S)-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-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol is C[C@H]1Cn2c(nnc2-c2cc3ccccc3cc2O)S1.
What is the InChIKey of 3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol?
The InChIKey is QTSVSHZDVQRJCV-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of 3-[(6S)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]naphthalen-2-ol?
3-[(6S)-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-[(6S)-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 713889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).