3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C7H9N3O3S — CID 28777698

IUPAC3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NCCC(=O)O
InChIInChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(13)8-3-2-5(11)12/h2-3H2,1H3,(H,8,13)(H,11,12)
InChIKeyFSEXSXBAEHVXGC-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.05
Rot. Bonds4

About 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 28777698) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID28777698
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NCCC(=O)O
InChIInChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(13)8-3-2-5(11)12/h2-3H2,1H3,(H,8,13)(H,11,12)
InChIKeyFSEXSXBAEHVXGC-UHFFFAOYSA-N
XLogP0.05
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2804319
N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
N-((1-(hydroxymethyl)cyclopropyl)methyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49739075
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
CID 114383613
N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 131065665
4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
CID 136535944
4-methyl-N-(4-pyrrolidin-1-ylbutyl)thiadiazole-5-carboxamide
CID 49724562
4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576669

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 28777698) is 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is FSEXSXBAEHVXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(13)8-3-2-5(11)12/h2-3H2,1H3,(H,8,13)(H,11,12).
What are the key properties of 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28777698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).