4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine

C9H17N3OS — CID 105185176

IUPAC4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCNC(c1cnns1)C(C)CCOC
InChIInChI=1S/C9H17N3OS/c1-7(4-5-13-3)9(10-2)8-6-11-12-14-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyQHRUWVKAGSQJCR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.47
Rot. Bonds6

About 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine

4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine (PubChem CID 105185176) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine
PubChem CID105185176
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCNC(c1cnns1)C(C)CCOC
InChIInChI=1S/C9H17N3OS/c1-7(4-5-13-3)9(10-2)8-6-11-12-14-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyQHRUWVKAGSQJCR-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine (CID 105185176) is 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine is CNC(c1cnns1)C(C)CCOC.
What is the InChIKey of 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine?
The InChIKey is QHRUWVKAGSQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(4-5-13-3)9(10-2)8-6-11-12-14-8/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine?
4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105185176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).