4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide

C13H14N4O2S — CID 30911801

IUPAC4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-10-11(20-17-16-10)13(19)15-9-6-4-8(5-7-9)12(18)14-2/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyLABROLPPTKJVPU-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.71
Rot. Bonds4

About 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide

4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 30911801) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
PubChem CID30911801
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-10-11(20-17-16-10)13(19)15-9-6-4-8(5-7-9)12(18)14-2/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyLABROLPPTKJVPU-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65207857
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224561
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
4-ethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiadiazole-5-carboxamide
CID 18584570
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 47418901

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide (CID 30911801) is 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is LABROLPPTKJVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-10-11(20-17-16-10)13(19)15-9-6-4-8(5-7-9)12(18)14-2/h4-7H,3H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide?
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 30911801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).