2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid

C12H11N3O3S — CID 65346450

IUPAC2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1nnsc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H11N3O3S/c1-7-11(19-15-14-7)12(18)13-9-4-2-3-8(5-9)6-10(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17)
InChIKeyNYMBTFZXMODDNM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.73
Rot. Bonds4

About 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid

2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 65346450) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
PubChem CID65346450
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1nnsc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H11N3O3S/c1-7-11(19-15-14-7)12(18)13-9-4-2-3-8(5-9)6-10(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17)
InChIKeyNYMBTFZXMODDNM-UHFFFAOYSA-N
XLogP1.73
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60802770
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60802744
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 65345706
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
CID 39835416

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid (CID 65346450) is 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid is Cc1nnsc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is NYMBTFZXMODDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-11(19-15-14-7)12(18)13-9-4-2-3-8(5-9)6-10(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65346450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).