N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C13H18N4O2S2 — CID 84600142

IUPACN-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC(C)(C)S(C)(=O)=O)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-13(2,21(4,18)19)9-17(3)12-16-15-11(20-12)10-7-5-6-8-14-10/h5-8H,9H2,1-4H3
InChIKeyXEEWFIWUAPKXBI-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 84600142) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID84600142
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CC(C)(C)S(C)(=O)=O)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-13(2,21(4,18)19)9-17(3)12-16-15-11(20-12)10-7-5-6-8-14-10/h5-8H,9H2,1-4H3
InChIKeyXEEWFIWUAPKXBI-UHFFFAOYSA-N
XLogP1.86
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 84600142) is N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(CC(C)(C)S(C)(=O)=O)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is XEEWFIWUAPKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-13(2,21(4,18)19)9-17(3)12-16-15-11(20-12)10-7-5-6-8-14-10/h5-8H,9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 326.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 84600142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).