N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C8H13N3OS — CID 97415060

IUPACN-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(C)ns1
InChIInChI=1S/C8H13N3OS/c1-4-5(2)9-7(12)8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12)/t5-/m1/s1
InChIKeyFUQNYXNTXJHFCA-RXMQYKEDSA-N
MW199.28 g/mol
LogP1.37
Rot. Bonds3

About N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 97415060) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID97415060
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(C)ns1
InChIInChI=1S/C8H13N3OS/c1-4-5(2)9-7(12)8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12)/t5-/m1/s1
InChIKeyFUQNYXNTXJHFCA-RXMQYKEDSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53335799
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
CID 130617010
4-amino-N-butan-2-ylpyrimidine-2-carboxamide
CID 130701737
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-butan-2-ylcarbamoyl iodide
CID 118554163
5-bromo-3-methyl-1,2,4-thiadiazole;ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate;methane
CID 163941509
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 97415060) is N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is CC[C@@H](C)NC(=O)c1nc(C)ns1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is FUQNYXNTXJHFCA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4-5(2)9-7(12)8-10-6(3)11-13-8/h5H,4H2,1-3H3,(H,9,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 97415060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).