2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide

C14H17N3OS — CID 25247027

IUPAC2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2nccs2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-5-4-6-12(10(9)2)16-11(3)13(18)17-14-15-7-8-19-14/h4-8,11,16H,1-3H3,(H,15,17,18)
InChIKeyPZEDOZZSNVCIOF-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.20
Rot. Bonds4

About 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide

2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 25247027) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID25247027
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2nccs2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-5-4-6-12(10(9)2)16-11(3)13(18)17-14-15-7-8-19-14/h4-8,11,16H,1-3H3,(H,15,17,18)
InChIKeyPZEDOZZSNVCIOF-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 7450130
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
methyl 5-bromo-2-[[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]benzoate
CID 163519510
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide (CID 25247027) is 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide is Cc1cccc(NC(C)C(=O)Nc2nccs2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PZEDOZZSNVCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-4-6-12(10(9)2)16-11(3)13(18)17-14-15-7-8-19-14/h4-8,11,16H,1-3H3,(H,15,17,18).
What are the key properties of 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide?
2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 25247027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).