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

C9H15N3OS — CID 71807130

IUPAC3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C9H15N3OS/c1-6(2)4-5-10-8(13)9-11-7(3)12-14-9/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyWFQHMYBFPBOCDU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.62
Rot. Bonds4

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

3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807130) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807130
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C9H15N3OS/c1-6(2)4-5-10-8(13)9-11-7(3)12-14-9/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyWFQHMYBFPBOCDU-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807130) is 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCC(C)C)n1.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is WFQHMYBFPBOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)4-5-10-8(13)9-11-7(3)12-14-9/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).