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

C9H17N3S — CID 167047362

IUPAC(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
SMILESCc1nnc(C[C@@H](N)CC(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)4-8(10)5-9-12-11-7(3)13-9/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1
InChIKeyBHPYWODOWAAZNR-QMMMGPOBSA-N
MW199.32 g/mol
LogP1.76
Rot. Bonds4

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

(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine (PubChem CID 167047362) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
PubChem CID167047362
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
SMILESCc1nnc(C[C@@H](N)CC(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)4-8(10)5-9-12-11-7(3)13-9/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1
InChIKeyBHPYWODOWAAZNR-QMMMGPOBSA-N
XLogP1.76
TPSA51.80 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-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 (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine (CID 167047362) is (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine is Cc1nnc(C[C@@H](N)CC(C)C)s1.
What is the InChIKey of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The InChIKey is BHPYWODOWAAZNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)4-8(10)5-9-12-11-7(3)13-9/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 167047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).