2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide

C17H16N4O2S — CID 75380502

IUPAC2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3cc[nH]c(=O)c3)s2)cc1
InChIInChI=1S/C17H16N4O2S/c1-10(2)11-3-5-12(6-4-11)16-20-21-17(24-16)19-15(23)13-7-8-18-14(22)9-13/h3-10H,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyXIJKEEGJSPOWAD-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.27
Rot. Bonds4

About 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide

2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide (PubChem CID 75380502) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide
PubChem CID75380502
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3cc[nH]c(=O)c3)s2)cc1
InChIInChI=1S/C17H16N4O2S/c1-10(2)11-3-5-12(6-4-11)16-20-21-17(24-16)19-15(23)13-7-8-18-14(22)9-13/h3-10H,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyXIJKEEGJSPOWAD-UHFFFAOYSA-N
XLogP3.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxido-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium-4-carboxamide
CID 75363244
4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18275341
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 17397231
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55522660
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 35570127
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
2-[methyl(methylsulfonyl)amino]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55606707
1-benzyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 24620826
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide (CID 75380502) is 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)c3cc[nH]c(=O)c3)s2)cc1.
What is the InChIKey of 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide?
The InChIKey is XIJKEEGJSPOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10(2)11-3-5-12(6-4-11)16-20-21-17(24-16)19-15(23)13-7-8-18-14(22)9-13/h3-10H,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide?
2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 75380502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).