3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid

C6H9N3O2S — CID 127020493

IUPAC3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid
SMILESCc1nnsc1C(N)CC(=O)O
InChIInChI=1S/C6H9N3O2S/c1-3-6(12-9-8-3)4(7)2-5(10)11/h4H,2,7H2,1H3,(H,10,11)
InChIKeyQCNKVVAMACAZFR-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.32
Rot. Bonds3

About 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid

3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid (PubChem CID 127020493) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid
PubChem CID127020493
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid
SMILESCc1nnsc1C(N)CC(=O)O
InChIInChI=1S/C6H9N3O2S/c1-3-6(12-9-8-3)4(7)2-5(10)11/h4H,2,7H2,1H3,(H,10,11)
InChIKeyQCNKVVAMACAZFR-UHFFFAOYSA-N
XLogP0.32
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(5-bromothiadiazol-4-yl)propanoic acid
CID 84707526
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 116886784
(4-methylthiadiazol-5-yl)-phenylmethanamine
CID 105084242
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide
CID 166428061
(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
CID 55271961

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid (CID 127020493) is 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid is Cc1nnsc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid?
The InChIKey is QCNKVVAMACAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3-6(12-9-8-3)4(7)2-5(10)11/h4H,2,7H2,1H3,(H,10,11).
What are the key properties of 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid?
3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methylthiadiazol-5-yl)propanoic acid is sourced from PubChem (CID 127020493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).