2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide

C13H13BrN2O4S — CID 1120126

IUPAC2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC
InChIInChI=1S/C13H13BrN2O4S/c1-18-8-6-7(9(14)11(20-3)10(8)19-2)12(17)16-13-15-4-5-21-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyFJILMXKJBSDUEY-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.18
Rot. Bonds5

About 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide

2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1120126) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1120126
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC
InChIInChI=1S/C13H13BrN2O4S/c1-18-8-6-7(9(14)11(20-3)10(8)19-2)12(17)16-13-15-4-5-21-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyFJILMXKJBSDUEY-UHFFFAOYSA-N
XLogP3.18
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 18105275
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
2-bromo-3,4,5-trimethoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 1179187
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1186583
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
5-bromo-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943059
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 19211321
2-bromo-N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 19195145
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 882261

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 1120126) is 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is FJILMXKJBSDUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-18-8-6-7(9(14)11(20-3)10(8)19-2)12(17)16-13-15-4-5-21-13/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 373.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).