5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C16H15N7S — CID 90287896

IUPAC5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C16H15N7S/c1-3-15-21-22-16(24-15)20-14-5-4-12-13(19-14)6-10(7-17-12)11-8-18-23(2)9-11/h4-9H,3H2,1-2H3,(H,19,20,22)
InChIKeyURNOWIXBFVXVFS-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.19
Rot. Bonds4

About 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90287896) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90287896
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C16H15N7S/c1-3-15-21-22-16(24-15)20-14-5-4-12-13(19-14)6-10(7-17-12)11-8-18-23(2)9-11/h4-9H,3H2,1-2H3,(H,19,20,22)
InChIKeyURNOWIXBFVXVFS-UHFFFAOYSA-N
XLogP3.19
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90287896) is 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1.
What is the InChIKey of 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is URNOWIXBFVXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-3-15-21-22-16(24-15)20-14-5-4-12-13(19-14)6-10(7-17-12)11-8-18-23(2)9-11/h4-9H,3H2,1-2H3,(H,19,20,22).
What are the key properties of 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 337.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90287896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).