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

C18H14Cl2N2O3S — CID 26242208

IUPAC2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl2N2O3S/c1-24-10-6-7-15(25-2)12(8-10)14-9-26-18(21-14)22-17(23)11-4-3-5-13(19)16(11)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyAVMLDBZTNNSXKS-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.39
Rot. Bonds5

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

2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 26242208) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID26242208
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl2N2O3S/c1-24-10-6-7-15(25-2)12(8-10)14-9-26-18(21-14)22-17(23)11-4-3-5-13(19)16(11)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyAVMLDBZTNNSXKS-UHFFFAOYSA-N
XLogP5.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24594548
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023820
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8873197
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 26242208) is 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AVMLDBZTNNSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c1-24-10-6-7-15(25-2)12(8-10)14-9-26-18(21-14)22-17(23)11-4-3-5-13(19)16(11)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 409.29 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 26242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).