(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide

C14H17N3O2S — CID 7450130

IUPAC(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOc1ccccc1N[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-7-5-4-6-11(12)16-10(2)13(18)17-14-15-8-9-20-14/h4-10,16H,3H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeySHSRAVFGOKDOGM-SNVBAGLBSA-N
MW291.38 g/mol
LogP2.98
Rot. Bonds6

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

(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 7450130) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID7450130
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOc1ccccc1N[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-7-5-4-6-11(12)16-10(2)13(18)17-14-15-8-9-20-14/h4-10,16H,3H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeySHSRAVFGOKDOGM-SNVBAGLBSA-N
XLogP2.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-ethoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558782
2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 66521973
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
methyl 5-bromo-2-[[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]benzoate
CID 163519510
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide (CID 7450130) is (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide is CCOc1ccccc1N[C@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SHSRAVFGOKDOGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-12-7-5-4-6-11(12)16-10(2)13(18)17-14-15-8-9-20-14/h4-10,16H,3H2,1-2H3,(H,15,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7450130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).