2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid

C12H12N4O3S — CID 114913138

IUPAC2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)Nc2cnns2)cc1
InChIInChI=1S/C12H12N4O3S/c1-8-2-4-9(5-3-8)16(7-11(17)18)12(19)14-10-6-13-15-20-10/h2-6H,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyMLZGXUAVTLUODP-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid

2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid (PubChem CID 114913138) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
PubChem CID114913138
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)Nc2cnns2)cc1
InChIInChI=1S/C12H12N4O3S/c1-8-2-4-9(5-3-8)16(7-11(17)18)12(19)14-10-6-13-15-20-10/h2-6H,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyMLZGXUAVTLUODP-UHFFFAOYSA-N
XLogP1.97
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
CID 61198137
1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea
CID 13150559
1,1-bis(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
CID 118947903
ethyl N-(thiadiazol-5-yl)carbamate
CID 12707508
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chloroacetate
CID 13150552
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641
2-[4-hydroxy-N-(1,2,4-triazin-3-ylcarbamoyl)anilino]acetic acid
CID 114388681

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid (CID 114913138) is 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid is Cc1ccc(N(CC(=O)O)C(=O)Nc2cnns2)cc1.
What is the InChIKey of 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid?
The InChIKey is MLZGXUAVTLUODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-8-2-4-9(5-3-8)16(7-11(17)18)12(19)14-10-6-13-15-20-10/h2-6H,7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid?
2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 114913138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).