N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

C8H13N3O2S — CID 71807135

IUPACN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-5(4-13-3)9-7(12)8-10-6(2)11-14-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyKTZMLGDUPUOTHN-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.61
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807135) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807135
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-5(4-13-3)9-7(12)8-10-6(2)11-14-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyKTZMLGDUPUOTHN-UHFFFAOYSA-N
XLogP0.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.61
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-thiadiazole-5-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807135) is N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is COCC(C)NC(=O)c1nc(C)ns1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is KTZMLGDUPUOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(4-13-3)9-7(12)8-10-6(2)11-14-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.61, 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-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).