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

C6H7N3O3S — CID 28777650

IUPAC2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCc1nnsc1C(=O)NCC(=O)O
InChIInChI=1S/C6H7N3O3S/c1-3-5(13-9-8-3)6(12)7-2-4(10)11/h2H2,1H3,(H,7,12)(H,10,11)
InChIKeyKHVSFSFVBYTGHX-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.34
Rot. Bonds3

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

2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid (PubChem CID 28777650) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid
PubChem CID28777650
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCc1nnsc1C(=O)NCC(=O)O
InChIInChI=1S/C6H7N3O3S/c1-3-5(13-9-8-3)6(12)7-2-4(10)11/h2H2,1H3,(H,7,12)(H,10,11)
InChIKeyKHVSFSFVBYTGHX-UHFFFAOYSA-N
XLogP-0.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid (CID 28777650) is 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid is Cc1nnsc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is KHVSFSFVBYTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-3-5(13-9-8-3)6(12)7-2-4(10)11/h2H2,1H3,(H,7,12)(H,10,11).
What are the key properties of 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 201.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 28777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).