N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide

C13H14N4O2S — CID 46522307

IUPACN-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H14N4O2S/c1-3-11-12(20-17-16-11)13(19)15-10-6-4-5-9(7-10)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyRINVAWOJQXNALK-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.31
Rot. Bonds4

About N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide

N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 46522307) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID46522307
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H14N4O2S/c1-3-11-12(20-17-16-11)13(19)15-10-6-4-5-9(7-10)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyRINVAWOJQXNALK-UHFFFAOYSA-N
XLogP2.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
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-(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
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide (CID 46522307) is N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is RINVAWOJQXNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-11-12(20-17-16-11)13(19)15-10-6-4-5-9(7-10)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide?
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 46522307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).