2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine

C14H20N4S2 — CID 80650679

IUPAC2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1nsc(Sc2ncc(CNCC(C)C)cc2C)n1
InChIInChI=1S/C14H20N4S2/c1-9(2)6-15-7-12-5-10(3)13(16-8-12)19-14-17-11(4)18-20-14/h5,8-9,15H,6-7H2,1-4H3
InChIKeyNWGGEKAEEUDKAP-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.45
Rot. Bonds6

About 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80650679) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID80650679
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1nsc(Sc2ncc(CNCC(C)C)cc2C)n1
InChIInChI=1S/C14H20N4S2/c1-9(2)6-15-7-12-5-10(3)13(16-8-12)19-14-17-11(4)18-20-14/h5,8-9,15H,6-7H2,1-4H3
InChIKeyNWGGEKAEEUDKAP-UHFFFAOYSA-N
XLogP3.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]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

Related Compounds

2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80640458
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 104604381
2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-3-pyridinyl]methanamine
CID 80650767
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917
N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80651506
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine (CID 80650679) is 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine is Cc1nsc(Sc2ncc(CNCC(C)C)cc2C)n1.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is NWGGEKAEEUDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-9(2)6-15-7-12-5-10(3)13(16-8-12)19-14-17-11(4)18-20-14/h5,8-9,15H,6-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 308.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80650679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).