2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

C20H18Br2N2O4S — CID 19211321

IUPAC2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c(Br)c(OC)c1OC
InChIInChI=1S/C20H18Br2N2O4S/c1-10-16(11-5-7-12(21)8-6-11)23-20(29-10)24-19(25)13-9-14(26-2)17(27-3)18(28-4)15(13)22/h5-9H,1-4H3,(H,23,24,25)
InChIKeyYZWBXJLRFMZXTO-UHFFFAOYSA-N
MW542.25 g/mol
LogP5.92
Rot. Bonds6

About 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 19211321) has the molecular formula C20H18Br2N2O4S and a molecular weight of 542.25 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID19211321
Molecular FormulaC20H18Br2N2O4S
Molecular Weight542.25 g/mol
Exact Mass539.94
IUPAC Name2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c(Br)c(OC)c1OC
InChIInChI=1S/C20H18Br2N2O4S/c1-10-16(11-5-7-12(21)8-6-11)23-20(29-10)24-19(25)13-9-14(26-2)17(27-3)18(28-4)15(13)22/h5-9H,1-4H3,(H,23,24,25)
InChIKeyYZWBXJLRFMZXTO-UHFFFAOYSA-N
XLogP5.92
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.25
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
2-bromo-3,4,5-trimethoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 1179187
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1147007
2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 24524419
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18205401
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 19211321) is 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is YZWBXJLRFMZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2N2O4S/c1-10-16(11-5-7-12(21)8-6-11)23-20(29-10)24-19(25)13-9-14(26-2)17(27-3)18(28-4)15(13)22/h5-9H,1-4H3,(H,23,24,25).
What are the key properties of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 542.25 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 19211321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).