N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide

C18H14Cl2N2O3S — CID 4181945

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C18H14Cl2N2O3S/c1-24-14-4-3-5-15(25-2)16(14)17(23)22-18-21-13(9-26-18)11-8-10(19)6-7-12(11)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyRHTXXEFZUQOACL-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.39
Rot. Bonds5

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 4181945) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID4181945
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C18H14Cl2N2O3S/c1-24-14-4-3-5-15(25-2)16(14)17(23)22-18-21-13(9-26-18)11-8-10(19)6-7-12(11)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyRHTXXEFZUQOACL-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

2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
CID 121080421
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (CID 4181945) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is RHTXXEFZUQOACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c1-24-14-4-3-5-15(25-2)16(14)17(23)22-18-21-13(9-26-18)11-8-10(19)6-7-12(11)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide 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 N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 4181945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).