(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C15H20N4OS — CID 8558307

IUPAC(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](Nc1cc(C)ccc1C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H20N4OS/c1-5-12(14(20)17-15-19-18-11(4)21-15)16-13-8-9(2)6-7-10(13)3/h6-8,12,16H,5H2,1-4H3,(H,17,19,20)/t12-/m1/s1
InChIKeyYMOMLOLOHKZDPO-GFCCVEGCSA-N
MW304.42 g/mol
LogP3.29
Rot. Bonds5

About (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 8558307) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID8558307
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](Nc1cc(C)ccc1C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H20N4OS/c1-5-12(14(20)17-15-19-18-11(4)21-15)16-13-8-9(2)6-7-10(13)3/h6-8,12,16H,5H2,1-4H3,(H,17,19,20)/t12-/m1/s1
InChIKeyYMOMLOLOHKZDPO-GFCCVEGCSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8558062
(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8562270
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100771093
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315
3-amino-2-(2,5-dimethylanilino)propanoic acid
CID 130492136
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 8558307) is (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@@H](Nc1cc(C)ccc1C)C(=O)Nc1nnc(C)s1.
What is the InChIKey of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is YMOMLOLOHKZDPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-5-12(14(20)17-15-19-18-11(4)21-15)16-13-8-9(2)6-7-10(13)3/h6-8,12,16H,5H2,1-4H3,(H,17,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 8558307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).