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

C9H16N4OS — CID 80618607

IUPAC5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCC(C)C)s1
InChIInChI=1S/C9H16N4OS/c1-6(2)4-5-11-7(14)8-12-13-9(10-3)15-8/h6H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyHOCVARUOYZRSHE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.36
Rot. Bonds5

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

5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618607) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618607
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCC(C)C)s1
InChIInChI=1S/C9H16N4OS/c1-6(2)4-5-11-7(14)8-12-13-9(10-3)15-8/h6H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyHOCVARUOYZRSHE-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114114579
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 80618607) is 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCCC(C)C)s1.
What is the InChIKey of 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HOCVARUOYZRSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(2)4-5-11-7(14)8-12-13-9(10-3)15-8/h6H,4-5H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).