2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid

C11H9N3O3S — CID 65214345

IUPAC2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C11H9N3O3S/c15-10(16)5-7-3-1-2-4-8(7)12-11(17)9-6-18-14-13-9/h1-4,6H,5H2,(H,12,17)(H,15,16)
InChIKeyKBEBBPMXLBTTDN-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.42
Rot. Bonds4

About 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid

2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid (PubChem CID 65214345) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
PubChem CID65214345
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C11H9N3O3S/c15-10(16)5-7-3-1-2-4-8(7)12-11(17)9-6-18-14-13-9/h1-4,6H,5H2,(H,12,17)(H,15,16)
InChIKeyKBEBBPMXLBTTDN-UHFFFAOYSA-N
XLogP1.42
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
CID 65216285
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
3-[4-(thiadiazole-4-carbonylamino)phenyl]butanoic acid
CID 104501495
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid (CID 65214345) is 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1csnn1.
What is the InChIKey of 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid?
The InChIKey is KBEBBPMXLBTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(16)5-7-3-1-2-4-8(7)12-11(17)9-6-18-14-13-9/h1-4,6H,5H2,(H,12,17)(H,15,16).
What are the key properties of 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid?
2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid has a molecular weight of 263.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 65214345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).