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

C14H18N4OS — CID 8566315

IUPAC(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)[C@H](C)Nc2cccc(C)c2C)s1
InChIInChI=1S/C14H18N4OS/c1-8-6-5-7-12(9(8)2)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m0/s1
InChIKeyVZWRWAUYHAOXLD-JTQLQIEISA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds4

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

(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 8566315) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID8566315
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)[C@H](C)Nc2cccc(C)c2C)s1
InChIInChI=1S/C14H18N4OS/c1-8-6-5-7-12(9(8)2)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m0/s1
InChIKeyVZWRWAUYHAOXLD-JTQLQIEISA-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)propanamide
CID 8566328
2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 25247027
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
CID 22509945
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 8566315) is (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)[C@H](C)Nc2cccc(C)c2C)s1.
What is the InChIKey of (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is VZWRWAUYHAOXLD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-6-5-7-12(9(8)2)15-10(3)13(19)16-14-18-17-11(4)20-14/h5-7,10,15H,1-4H3,(H,16,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-(2,3-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 (2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 8566315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).