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

C12H16N4O2S2 — CID 133455175

IUPACN-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(CNc1nnc(-c2ccccn2)s1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S2/c1-12(2,20(3,17)18)8-14-11-16-15-10(19-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeySIWRKKWNEAAGOD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds5

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

N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133455175) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133455175
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(CNc1nnc(-c2ccccn2)s1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S2/c1-12(2,20(3,17)18)8-14-11-16-15-10(19-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeySIWRKKWNEAAGOD-UHFFFAOYSA-N
XLogP1.84
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 133454814

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133455175) is N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CC(C)(CNc1nnc(-c2ccccn2)s1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SIWRKKWNEAAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2,20(3,17)18)8-14-11-16-15-10(19-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 312.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133455175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).