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

C7H13N3OS — CID 79194892

IUPAC3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(C)(C)OC)ns1
InChIInChI=1S/C7H13N3OS/c1-7(2,11-4)5-9-6(8-3)12-10-5/h1-4H3,(H,8,9,10)
InChIKeyYVYDWBBZUZBISP-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.46
Rot. Bonds3

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

3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 79194892) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID79194892
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(C)(C)OC)ns1
InChIInChI=1S/C7H13N3OS/c1-7(2,11-4)5-9-6(8-3)12-10-5/h1-4H3,(H,8,9,10)
InChIKeyYVYDWBBZUZBISP-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 79194892) is 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(C(C)(C)OC)ns1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YVYDWBBZUZBISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-7(2,11-4)5-9-6(8-3)12-10-5/h1-4H3,(H,8,9,10).
What are the key properties of 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79194892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).