2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid

C6H7N3O3S — CID 43522539

IUPAC2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnsn1
InChIInChI=1S/C6H7N3O3S/c1-9(3-5(10)11)6(12)4-2-7-13-8-4/h2H,3H2,1H3,(H,10,11)
InChIKeyIPKBWOBMLZLIQE-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.31
Rot. Bonds3

About 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid

2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid (PubChem CID 43522539) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
PubChem CID43522539
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnsn1
InChIInChI=1S/C6H7N3O3S/c1-9(3-5(10)11)6(12)4-2-7-13-8-4/h2H,3H2,1H3,(H,10,11)
InChIKeyIPKBWOBMLZLIQE-UHFFFAOYSA-N
XLogP-0.31
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 62334070
2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 79274237
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 62953312
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 54983831
2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 110836325
1,2,5-thiadiazole-3-carboxylate
CID 6984397
N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
CID 79720691
2-[methyl(1,2-oxazole-4-carbonyl)amino]acetic acid
CID 83617811
N-(5-chloro-2-cyanophenyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 75382253
N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
CID 99828131

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid (CID 43522539) is 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cnsn1.
What is the InChIKey of 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The InChIKey is IPKBWOBMLZLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-9(3-5(10)11)6(12)4-2-7-13-8-4/h2H,3H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid has a molecular weight of 201.21 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43522539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).