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

C14H18N4OS — CID 8566328

IUPAC(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C14H18N4OS/c1-8-5-6-9(2)12(7-8)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m1/s1
InChIKeyCGCKUAKDFMBOTP-SNVBAGLBSA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds4

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

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 8566328) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID8566328
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C14H18N4OS/c1-8-5-6-9(2)12(7-8)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m1/s1
InChIKeyCGCKUAKDFMBOTP-SNVBAGLBSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8558307
(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315
(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558262
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
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
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 8566328) is (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1ccc(C)c(N[C@H](C)C(=O)Nc2nnc(C)s2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CGCKUAKDFMBOTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-5-6-9(2)12(7-8)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.90, 4 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)propanamide is sourced from PubChem (CID 8566328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).