N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

C8H11N5S2 — CID 62188464

IUPACN-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C8H11N5S2/c1-9-8-7(11-12-15-8)5-14-6-3-10-13(2)4-6/h3-4,9H,5H2,1-2H3
InChIKeyHDERMYMOKWVYFZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.61
Rot. Bonds4

About N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 62188464) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID62188464
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC NameN-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C8H11N5S2/c1-9-8-7(11-12-15-8)5-14-6-3-10-13(2)4-6/h3-4,9H,5H2,1-2H3
InChIKeyHDERMYMOKWVYFZ-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-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-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (CID 62188464) is N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is CNc1snnc1CSc1cnn(C)c1.
What is the InChIKey of N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is HDERMYMOKWVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-9-8-7(11-12-15-8)5-14-6-3-10-13(2)4-6/h3-4,9H,5H2,1-2H3.
What are the key properties of N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 62188464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).