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

C15H19N3OS — CID 8558262

IUPAC(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(N[C@@H](C)C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-10(2)13(7-9)17-12(4)14(19)18-15-16-11(3)8-20-15/h5-8,12,17H,1-4H3,(H,16,18,19)/t12-/m0/s1
InChIKeyHZASKQCUUIEEGK-LBPRGKRZSA-N
MW289.40 g/mol
LogP3.51
Rot. Bonds4

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

(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 8558262) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID8558262
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(N[C@@H](C)C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-10(2)13(7-9)17-12(4)14(19)18-15-16-11(3)8-20-15/h5-8,12,17H,1-4H3,(H,16,18,19)/t12-/m0/s1
InChIKeyHZASKQCUUIEEGK-LBPRGKRZSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
(2R)-2-(2-ethoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558782
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
4-methyl-N-[3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 42909198
4-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679236
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 8558262) is (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is HZASKQCUUIEEGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-6-10(2)13(7-9)17-12(4)14(19)18-15-16-11(3)8-20-15/h5-8,12,17H,1-4H3,(H,16,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 8558262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).