2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide

C7H12N4O2S — CID 114912357

IUPAC2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOCCC(N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4O2S/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12)
InChIKeyUKTYTXZDESQJDG-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.16
Rot. Bonds5

About 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide

2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide (PubChem CID 114912357) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide
PubChem CID114912357
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOCCC(N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4O2S/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12)
InChIKeyUKTYTXZDESQJDG-UHFFFAOYSA-N
XLogP-0.16
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4,4-difluoro-N-(thiadiazol-5-yl)butanamide
CID 130562387
butyric acid-N-(1,2,3-thiadiazole-5-yl)-amide
CID 20432881
3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 91652293
4-methoxy-N-(thiadiazol-5-yl)butanamide
CID 99789680
(2S)-3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 99825110
(2R)-3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 99825111
4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide
CID 103156849
(2R)-2-amino-3,3-dimethyl-N-(thiadiazol-5-yl)butanamide
CID 104982918
(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
CID 104982919
(2R)-2-amino-N-(thiadiazol-5-yl)propanamide
CID 104982920
(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
CID 104982923
(2S)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
CID 104982924

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide (CID 114912357) is 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide is COCCC(N)C(=O)Nc1cnns1.
What is the InChIKey of 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide?
The InChIKey is UKTYTXZDESQJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12).
What are the key properties of 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide?
2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide has a molecular weight of 216.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 114912357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).