[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine

C10H12N4S2 — CID 61176139

IUPAC[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2nncs2)n1
InChIInChI=1S/C10H12N4S2/c1-6-3-7(2)13-9(8(6)4-11)16-10-14-12-5-15-10/h3,5H,4,11H2,1-2H3
InChIKeyCOVPNOPXNFREFU-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.16
Rot. Bonds3

About [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 61176139) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
PubChem CID61176139
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2nncs2)n1
InChIInChI=1S/C10H12N4S2/c1-6-3-7(2)13-9(8(6)4-11)16-10-14-12-5-15-10/h3,5H,4,11H2,1-2H3
InChIKeyCOVPNOPXNFREFU-UHFFFAOYSA-N
XLogP2.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine 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 [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine (CID 61176139) is [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(Sc2nncs2)n1.
What is the InChIKey of [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is COVPNOPXNFREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-6-3-7(2)13-9(8(6)4-11)16-10-14-12-5-15-10/h3,5H,4,11H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 252.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 61176139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).