6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C17H13N5OS — CID 135990524

IUPAC6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2nn[nH]n2)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13N5OS/c1-10-15(9-14(17(23)18-10)16-19-21-22-20-16)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyLMPHESNXKWAVQT-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.17
Rot. Bonds3

About 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 135990524) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID135990524
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2nn[nH]n2)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13N5OS/c1-10-15(9-14(17(23)18-10)16-19-21-22-20-16)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyLMPHESNXKWAVQT-UHFFFAOYSA-N
XLogP3.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-phenylsulfanylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 135409519
6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 135974150
ethyl 2-[5-(6-methyl-5-naphthalen-2-ylsulfanyl-2-oxo-1H-pyridin-3-yl)tetrazol-2-yl]acetate
CID 136102975
6-phenyl-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 136149684
6-naphthalen-2-yl-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 136153490
5-naphthalen-2-ylsulfanyl-6-phenyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 136180231
6-[(E)-2-phenylethenyl]-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 136421482

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 135990524) is 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is Cc1[nH]c(=O)c(-c2nn[nH]n2)cc1Sc1ccc2ccccc2c1.
What is the InChIKey of 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is LMPHESNXKWAVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-10-15(9-14(17(23)18-10)16-19-21-22-20-16)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 335.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-naphthalen-2-ylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135990524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).