2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C14H17N3OS — CID 119670232

IUPAC2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCNCC(C)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(8-15-2)13(18)17-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,16,17,18)
InChIKeyMHOUDLLQJXYZLL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 119670232) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID119670232
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCNCC(C)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(8-15-2)13(18)17-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,16,17,18)
InChIKeyMHOUDLLQJXYZLL-UHFFFAOYSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119677142
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119711324
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
methyl 4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 119702173
[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
CID 3132918
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 119670232) is 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CNCC(C)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MHOUDLLQJXYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(8-15-2)13(18)17-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 119670232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).