3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide

C19H16Cl2N2O4S — CID 4009017

IUPAC3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C19H16Cl2N2O4S/c1-25-15-5-4-10(8-16(15)26-2)14-9-28-19(22-14)23-18(24)11-6-12(20)17(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,23,24)
InChIKeyDKGOKMJONKNBQF-UHFFFAOYSA-N
MW439.32 g/mol
LogP5.39
Rot. Bonds6

About 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide

3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 4009017) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID4009017
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC Name3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C19H16Cl2N2O4S/c1-25-15-5-4-10(8-16(15)26-2)14-9-28-19(22-14)23-18(24)11-6-12(20)17(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,23,24)
InChIKeyDKGOKMJONKNBQF-UHFFFAOYSA-N
XLogP5.39
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.32
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dichloro-4-methoxybenzamide
CID 18848621
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 17318778

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 4009017) is 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is DKGOKMJONKNBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c1-25-15-5-4-10(8-16(15)26-2)14-9-28-19(22-14)23-18(24)11-6-12(20)17(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,23,24).
What are the key properties of 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 439.32 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4009017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).