N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide

C24H21N3O2S — CID 5037390

IUPACN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C24H21N3O2S/c1-29-21-9-5-8-20(15-21)26-24-27-22(16-30-24)18-10-12-19(13-11-18)25-23(28)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyJGIWDJWKQXWOBW-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.74
Rot. Bonds7

About N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide (PubChem CID 5037390) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
PubChem CID5037390
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C24H21N3O2S/c1-29-21-9-5-8-20(15-21)26-24-27-22(16-30-24)18-10-12-19(13-11-18)25-23(28)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyJGIWDJWKQXWOBW-UHFFFAOYSA-N
XLogP5.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18900240
2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 110492871
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide (CID 5037390) is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide is COc1cccc(Nc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cs2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide?
The InChIKey is JGIWDJWKQXWOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-29-21-9-5-8-20(15-21)26-24-27-22(16-30-24)18-10-12-19(13-11-18)25-23(28)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide?
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide has a molecular weight of 415.52 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 5037390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).