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

C19H16Br2N2O4S — CID 17318778

IUPAC3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Br)cc(Br)c3OC)n2)cc1OC
InChIInChI=1S/C19H16Br2N2O4S/c1-25-15-5-4-10(6-16(15)26-2)14-9-28-19(22-14)23-18(24)12-7-11(20)8-13(21)17(12)27-3/h4-9H,1-3H3,(H,22,23,24)
InChIKeyZKNVMCSULLDRLB-UHFFFAOYSA-N
MW528.22 g/mol
LogP5.61
Rot. Bonds6

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

3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 17318778) has the molecular formula C19H16Br2N2O4S and a molecular weight of 528.22 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID17318778
Molecular FormulaC19H16Br2N2O4S
Molecular Weight528.22 g/mol
Exact Mass525.92
IUPAC Name3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Br)cc(Br)c3OC)n2)cc1OC
InChIInChI=1S/C19H16Br2N2O4S/c1-25-15-5-4-10(6-16(15)26-2)14-9-28-19(22-14)23-18(24)12-7-11(20)8-13(21)17(12)27-3/h4-9H,1-3H3,(H,22,23,24)
InChIKeyZKNVMCSULLDRLB-UHFFFAOYSA-N
XLogP5.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.22
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 17117064
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 24625358
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 17318778) is 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccc(-c2csc(NC(=O)c3cc(Br)cc(Br)c3OC)n2)cc1OC.
What is the InChIKey of 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is ZKNVMCSULLDRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O4S/c1-25-15-5-4-10(6-16(15)26-2)14-9-28-19(22-14)23-18(24)12-7-11(20)8-13(21)17(12)27-3/h4-9H,1-3H3,(H,22,23,24).
What are the key properties of 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 528.22 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 17318778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).