3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide

C10H17N3O2S — CID 71807132

IUPAC3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)15-6-4-5-11-9(14)10-12-8(3)13-16-10/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyJQBSXCJHJHPUAM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.39
Rot. Bonds6

About 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807132) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807132
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)15-6-4-5-11-9(14)10-12-8(3)13-16-10/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyJQBSXCJHJHPUAM-UHFFFAOYSA-N
XLogP1.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807132) is 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCCOC(C)C)n1.
What is the InChIKey of 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is JQBSXCJHJHPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)15-6-4-5-11-9(14)10-12-8(3)13-16-10/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-yloxypropyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).