2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole

C15H12N6S2 — CID 90288074

IUPAC2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C15H12N6S2/c1-9-19-20-15(22-9)23-14-4-3-12-13(18-14)5-10(6-16-12)11-7-17-21(2)8-11/h3-8H,1-2H3
InChIKeyQRESDOIJSMMRGE-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole

2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole (PubChem CID 90288074) has the molecular formula C15H12N6S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole
PubChem CID90288074
Molecular FormulaC15H12N6S2
Molecular Weight340.44 g/mol
Exact Mass340.06
IUPAC Name2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C15H12N6S2/c1-9-19-20-15(22-9)23-14-4-3-12-13(18-14)5-10(6-16-12)11-7-17-21(2)8-11/h3-8H,1-2H3
InChIKeyQRESDOIJSMMRGE-UHFFFAOYSA-N
XLogP3.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole (CID 90288074) is 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole is Cc1nnc(Sc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1.
What is the InChIKey of 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole?
The InChIKey is QRESDOIJSMMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S2/c1-9-19-20-15(22-9)23-14-4-3-12-13(18-14)5-10(6-16-12)11-7-17-21(2)8-11/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole?
2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole has a molecular weight of 340.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 90288074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).