4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide

C7H12N4O2S — CID 103156849

IUPAC4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1cnns1
InChIInChI=1S/C7H12N4O2S/c1-13-5(3-8)2-6(12)10-7-4-9-11-14-7/h4-5H,2-3,8H2,1H3,(H,10,12)
InChIKeyQMODOWJHCJFWFL-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.16
Rot. Bonds5

About 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide

4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide (PubChem CID 103156849) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide
PubChem CID103156849
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1cnns1
InChIInChI=1S/C7H12N4O2S/c1-13-5(3-8)2-6(12)10-7-4-9-11-14-7/h4-5H,2-3,8H2,1H3,(H,10,12)
InChIKeyQMODOWJHCJFWFL-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide (CID 103156849) is 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide is COC(CN)CC(=O)Nc1cnns1.
What is the InChIKey of 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide?
The InChIKey is QMODOWJHCJFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-13-5(3-8)2-6(12)10-7-4-9-11-14-7/h4-5H,2-3,8H2,1H3,(H,10,12).
What are the key properties of 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide?
4-amino-3-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 4-amino-3-methoxy-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 103156849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).