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

C19H17BrN2O3S — CID 1136044

IUPAC3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-11-17(12-4-7-14(24-2)8-5-12)21-19(26-11)22-18(23)13-6-9-16(25-3)15(20)10-13/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYILIDOAUNPCPOT-UHFFFAOYSA-N
MW433.33 g/mol
LogP5.15
Rot. Bonds5

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

3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 1136044) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID1136044
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-11-17(12-4-7-14(24-2)8-5-12)21-19(26-11)22-18(23)13-6-9-16(25-3)15(20)10-13/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYILIDOAUNPCPOT-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
4-(2,5-dimethylpyrrol-1-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7916056
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
3-[(2-bromophenoxy)methyl]-4-methoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 17021122
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 26116977
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 1136044) is 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is YILIDOAUNPCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-11-17(12-4-7-14(24-2)8-5-12)21-19(26-11)22-18(23)13-6-9-16(25-3)15(20)10-13/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 433.33 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1136044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).