4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide

C13H15N3OS — CID 9192445

IUPAC4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2snnc2CC)c1
InChIInChI=1S/C13H15N3OS/c1-3-9-6-5-7-10(8-9)14-13(17)12-11(4-2)15-16-18-12/h5-8H,3-4H2,1-2H3,(H,14,17)
InChIKeyVSPZJBSUCVMZPV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.92
Rot. Bonds4

About 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide

4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide (PubChem CID 9192445) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
PubChem CID9192445
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2snnc2CC)c1
InChIInChI=1S/C13H15N3OS/c1-3-9-6-5-7-10(8-9)14-13(17)12-11(4-2)15-16-18-12/h5-8H,3-4H2,1-2H3,(H,14,17)
InChIKeyVSPZJBSUCVMZPV-UHFFFAOYSA-N
XLogP2.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120604802

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide (CID 9192445) is 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide is CCc1cccc(NC(=O)c2snnc2CC)c1.
What is the InChIKey of 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide?
The InChIKey is VSPZJBSUCVMZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-9-6-5-7-10(8-9)14-13(17)12-11(4-2)15-16-18-12/h5-8H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide?
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 9192445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).