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

C7H13N3OS — CID 65268030

IUPACN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)Nc1nc(C)ns1
InChIInChI=1S/C7H13N3OS/c1-5(4-11-3)8-7-9-6(2)10-12-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyAFMZORVGVHZFDF-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.29
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268030) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268030
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC NameN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)Nc1nc(C)ns1
InChIInChI=1S/C7H13N3OS/c1-5(4-11-3)8-7-9-6(2)10-12-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyAFMZORVGVHZFDF-UHFFFAOYSA-N
XLogP1.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268030) is N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is COCC(C)Nc1nc(C)ns1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is AFMZORVGVHZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(4-11-3)8-7-9-6(2)10-12-7/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).