2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide

C21H23N3O2S — CID 46137583

IUPAC2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H23N3O2S/c1-15(2)22-20(25)13-24(18-11-7-8-12-19(18)26-3)21-23-17(14-27-21)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeySDFGQHALEBTWNN-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.48
Rot. Bonds7

About 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide

2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide (PubChem CID 46137583) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide
PubChem CID46137583
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H23N3O2S/c1-15(2)22-20(25)13-24(18-11-7-8-12-19(18)26-3)21-23-17(14-27-21)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeySDFGQHALEBTWNN-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)-propan-2-ylamino]propanoic acid
CID 82310044
2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174381
(2R)-N-[(4-fluorophenyl)methyl]-2-(2-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)propanamide
CID 93307170
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 8840087
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402
1-[2-(2-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543031
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,3-dimethoxybenzoate
CID 2503288
2-[[4-[(2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)anilino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 23879712

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide (CID 46137583) is 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide is COc1ccccc1N(CC(=O)NC(C)C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide?
The InChIKey is SDFGQHALEBTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(2)22-20(25)13-24(18-11-7-8-12-19(18)26-3)21-23-17(14-27-21)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide?
2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 46137583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).