3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide

C23H16N4O2S — CID 122188904

IUPAC3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3c2)o1
InChIInChI=1S/C23H16N4O2S/c1-14-6-7-20(29-14)17-12-16-4-2-3-5-18(16)19(13-17)21(28)25-23-27-26-22(30-23)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27,28)
InChIKeyQOQCDKVOJQFRFK-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.57
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide

3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 122188904) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
PubChem CID122188904
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3c2)o1
InChIInChI=1S/C23H16N4O2S/c1-14-6-7-20(29-14)17-12-16-4-2-3-5-18(16)19(13-17)21(28)25-23-27-26-22(30-23)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27,28)
InChIKeyQOQCDKVOJQFRFK-UHFFFAOYSA-N
XLogP5.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 1245709
2-(5-methylfuran-2-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
CID 1257050
US10130619, Example 168
CID 121407609
US10130619, Example 34
CID 121407437
US10130619, Example 134
CID 121407476
US10130619, Example 180
CID 121407478
US10130619, Example 161
CID 121407532
US10130619, Example 178
CID 121407642
US10130619, Example 158
CID 121407685
US10130619, Example 136
CID 121407748
US10130619, Example 116
CID 121407775
US10130619, Example 82
CID 121407776

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide (CID 122188904) is 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3c2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is QOQCDKVOJQFRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c1-14-6-7-20(29-14)17-12-16-4-2-3-5-18(16)19(13-17)21(28)25-23-27-26-22(30-23)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27,28).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 122188904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).