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

C18H15BrN2O3S — CID 3657057

IUPAC3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-13-6-7-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyWKUVVSDBDVBZSB-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.84
Rot. Bonds5

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

3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3657057) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3657057
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC Name3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-13-6-7-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyWKUVVSDBDVBZSB-UHFFFAOYSA-N
XLogP4.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.84
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
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 3657057) is 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c1.
What is the InChIKey of 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WKUVVSDBDVBZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-23-13-6-7-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 419.30 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3657057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).