(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide

C15H19N3O2S — CID 8558609

IUPAC(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(N[C@@H](CC)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-13(14(19)18-15-16-9-10-21-15)17-11-5-7-12(8-6-11)20-4-2/h5-10,13,17H,3-4H2,1-2H3,(H,16,18,19)/t13-/m0/s1
InChIKeyRWZDGOLZXMSQKV-ZDUSSCGKSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds7

About (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide

(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 8558609) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID8558609
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(N[C@@H](CC)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-13(14(19)18-15-16-9-10-21-15)17-11-5-7-12(8-6-11)20-4-2/h5-10,13,17H,3-4H2,1-2H3,(H,16,18,19)/t13-/m0/s1
InChIKeyRWZDGOLZXMSQKV-ZDUSSCGKSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N,N-diethylbutanamide
CID 3027706
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 7450130
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide (CID 8558609) is (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide is CCOc1ccc(N[C@@H](CC)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RWZDGOLZXMSQKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-13(14(19)18-15-16-9-10-21-15)17-11-5-7-12(8-6-11)20-4-2/h5-10,13,17H,3-4H2,1-2H3,(H,16,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide?
(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 305.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 8558609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).