(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide

C15H19N3O2S — CID 28824897

IUPAC(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C15H19N3O2S/c1-9-11(3)21-15(17-9)18-14(19)10(2)16-12-7-5-6-8-13(12)20-4/h5-8,10,16H,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyAMMQOFDQYBZMOU-JTQLQIEISA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds5

About (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide

(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide (PubChem CID 28824897) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
PubChem CID28824897
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C15H19N3O2S/c1-9-11(3)21-15(17-9)18-14(19)10(2)16-12-7-5-6-8-13(12)20-4/h5-8,10,16H,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyAMMQOFDQYBZMOU-JTQLQIEISA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide (CID 28824897) is (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide is COc1ccccc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide?
The InChIKey is AMMQOFDQYBZMOU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-11(3)21-15(17-9)18-14(19)10(2)16-12-7-5-6-8-13(12)20-4/h5-8,10,16H,1-4H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide?
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 28824897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).