2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C8H15N3S — CID 65199469

IUPAC2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCc1nnsc1CNCC(C)C
InChIInChI=1S/C8H15N3S/c1-6(2)4-9-5-8-7(3)10-11-12-8/h6,9H,4-5H2,1-3H3
InChIKeyOUFYLPURIIYVEA-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine

2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 65199469) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID65199469
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCc1nnsc1CNCC(C)C
InChIInChI=1S/C8H15N3S/c1-6(2)4-9-5-8-7(3)10-11-12-8/h6,9H,4-5H2,1-3H3
InChIKeyOUFYLPURIIYVEA-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-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 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 65199469) is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine is Cc1nnsc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is OUFYLPURIIYVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)4-9-5-8-7(3)10-11-12-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65199469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).