3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C10H19N3O2S2 — CID 65273939

IUPAC3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3O2S2/c1-7(6-17(5,14)15)11-9-12-8(13-16-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyBUJBXVFJWFUOHO-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.68
Rot. Bonds4

About 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65273939) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65273939
Molecular FormulaC10H19N3O2S2
Molecular Weight277.42 g/mol
Exact Mass277.09
IUPAC Name3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3O2S2/c1-7(6-17(5,14)15)11-9-12-8(13-16-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyBUJBXVFJWFUOHO-UHFFFAOYSA-N
XLogP1.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65273939) is 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine is CC(CS(C)(=O)=O)Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BUJBXVFJWFUOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-7(6-17(5,14)15)11-9-12-8(13-16-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).