2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide

C21H19Cl2N3O4S — CID 55791886

IUPAC2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1OC
InChIInChI=1S/C21H19Cl2N3O4S/c1-11(24-20(28)13-5-4-6-14(22)18(13)23)19(27)26-21-25-15(10-31-21)12-7-8-16(29-2)17(9-12)30-3/h4-11H,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWISKBLPSSKPCRT-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.89
Rot. Bonds7

About 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 55791886) has the molecular formula C21H19Cl2N3O4S and a molecular weight of 480.37 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID55791886
Molecular FormulaC21H19Cl2N3O4S
Molecular Weight480.37 g/mol
Exact Mass479.05
IUPAC Name2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1OC
InChIInChI=1S/C21H19Cl2N3O4S/c1-11(24-20(28)13-5-4-6-14(22)18(13)23)19(27)26-21-25-15(10-31-21)12-7-8-16(29-2)17(9-12)30-3/h4-11H,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWISKBLPSSKPCRT-UHFFFAOYSA-N
XLogP4.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 78897550
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17422913
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 40880412
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23999967

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide (CID 55791886) is 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1OC.
What is the InChIKey of 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WISKBLPSSKPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4S/c1-11(24-20(28)13-5-4-6-14(22)18(13)23)19(27)26-21-25-15(10-31-21)12-7-8-16(29-2)17(9-12)30-3/h4-11H,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 480.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55791886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).