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

C9H17N3S — CID 65208573

IUPACN-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine
SMILESCCC(NC)C(C)c1nnc(C)s1
InChIInChI=1S/C9H17N3S/c1-5-8(10-4)6(2)9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3
InChIKeyYICGCKHTUKCGQG-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.95
Rot. Bonds4

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

N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine (PubChem CID 65208573) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine
PubChem CID65208573
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine
SMILESCCC(NC)C(C)c1nnc(C)s1
InChIInChI=1S/C9H17N3S/c1-5-8(10-4)6(2)9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3
InChIKeyYICGCKHTUKCGQG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine?
The IUPAC name of N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine (CID 65208573) is N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine?
The canonical SMILES for N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine is CCC(NC)C(C)c1nnc(C)s1.
What is the InChIKey of N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine?
The InChIKey is YICGCKHTUKCGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5-8(10-4)6(2)9-12-11-7(3)13-9/h6,8,10H,5H2,1-4H3.
What are the key properties of N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine?
N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine has a molecular weight of 199.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine is sourced from PubChem (CID 65208573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).