2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid

C15H16N4O4S — CID 119224561

IUPAC2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCc1nnsc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H16N4O4S/c1-2-11-14(24-19-18-11)15(23)17-10-5-3-9(4-6-10)7-12(20)16-8-13(21)22/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22)
InChIKeyCVVXFZPOLBOWSS-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.10
Rot. Bonds7

About 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224561) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224561
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCc1nnsc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H16N4O4S/c1-2-11-14(24-19-18-11)15(23)17-10-5-3-9(4-6-10)7-12(20)16-8-13(21)22/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22)
InChIKeyCVVXFZPOLBOWSS-UHFFFAOYSA-N
XLogP1.10
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65207857
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-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224561) is 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid is CCc1nnsc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is CVVXFZPOLBOWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-2-11-14(24-19-18-11)15(23)17-10-5-3-9(4-6-10)7-12(20)16-8-13(21)22/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,23)(H,21,22).
What are the key properties of 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 348.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).