1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C19H19N3OS — CID 133321177

IUPAC1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(CNc2nc(-c3ccccc3)ns2)CCCc2ccccc21
InChIInChI=1S/C19H19N3OS/c23-19(12-6-10-14-7-4-5-11-16(14)19)13-20-18-21-17(22-24-18)15-8-2-1-3-9-15/h1-5,7-9,11,23H,6,10,12-13H2,(H,20,21,22)
InChIKeyMKTUVLBBAMQEQV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.84
Rot. Bonds4

About 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 133321177) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID133321177
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(CNc2nc(-c3ccccc3)ns2)CCCc2ccccc21
InChIInChI=1S/C19H19N3OS/c23-19(12-6-10-14-7-4-5-11-16(14)19)13-20-18-21-17(22-24-18)15-8-2-1-3-9-15/h1-5,7-9,11,23H,6,10,12-13H2,(H,20,21,22)
InChIKeyMKTUVLBBAMQEQV-UHFFFAOYSA-N
XLogP3.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 133321177) is 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is OC1(CNc2nc(-c3ccccc3)ns2)CCCc2ccccc21.
What is the InChIKey of 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is MKTUVLBBAMQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(12-6-10-14-7-4-5-11-16(14)19)13-20-18-21-17(22-24-18)15-8-2-1-3-9-15/h1-5,7-9,11,23H,6,10,12-13H2,(H,20,21,22).
What are the key properties of 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 337.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 133321177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).