N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine

C9H17N3S — CID 65208231

IUPACN,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nnc(C)s1)C(C)C
InChIInChI=1S/C9H17N3S/c1-6(2)8(10-4)5-9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3
InChIKeyHLQLCINSVVODET-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.63
Rot. Bonds4

About N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine

N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (PubChem CID 65208231) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
PubChem CID65208231
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nnc(C)s1)C(C)C
InChIInChI=1S/C9H17N3S/c1-6(2)8(10-4)5-9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3
InChIKeyHLQLCINSVVODET-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (CID 65208231) is N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is CNC(Cc1nnc(C)s1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The InChIKey is HLQLCINSVVODET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)8(10-4)5-9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is sourced from PubChem (CID 65208231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).