4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide

C15H19N3OS — CID 100749107

IUPAC4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1snnc1-c1ccc(C)cc1
InChIInChI=1S/C15H19N3OS/c1-4-5-11(3)16-15(19)14-13(17-18-20-14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyLLBYRJBMZLZPJP-LLVKDONJSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds5

About 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide

4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide (PubChem CID 100749107) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
PubChem CID100749107
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1snnc1-c1ccc(C)cc1
InChIInChI=1S/C15H19N3OS/c1-4-5-11(3)16-15(19)14-13(17-18-20-14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyLLBYRJBMZLZPJP-LLVKDONJSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751536
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide (CID 100749107) is 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide is CCC[C@@H](C)NC(=O)c1snnc1-c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is LLBYRJBMZLZPJP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-5-11(3)16-15(19)14-13(17-18-20-14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide?
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100749107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).