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

C8H13N3OS — CID 130703712

IUPAC5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCC(C)C)s1
InChIInChI=1S/C8H13N3OS/c1-5(2)4-9-7(12)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyHWKOGOUSMUAPFA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.23
Rot. Bonds3

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

5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 130703712) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID130703712
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCC(C)C)s1
InChIInChI=1S/C8H13N3OS/c1-5(2)4-9-7(12)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyHWKOGOUSMUAPFA-UHFFFAOYSA-N
XLogP1.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 53397288
5-methyl-1,3,4-thiadiazole-2-carbohydrazide
CID 130690461
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
5-methyl-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327478
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
CID 175461334
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 131154139

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 130703712) is 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is Cc1nnc(C(=O)NCC(C)C)s1.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HWKOGOUSMUAPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)4-9-7(12)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 130703712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).