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

C13H13BrN2OS — CID 882261

IUPAC5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1c(Br)cc(C(=O)Nc2nccs2)c(C)c1C
InChIInChI=1S/C13H13BrN2OS/c1-7-8(2)10(6-11(14)9(7)3)12(17)16-13-15-4-5-18-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyYAYKXBCIDRGAPU-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.08
Rot. Bonds2

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

5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 882261) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID882261
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1c(Br)cc(C(=O)Nc2nccs2)c(C)c1C
InChIInChI=1S/C13H13BrN2OS/c1-7-8(2)10(6-11(14)9(7)3)12(17)16-13-15-4-5-18-13/h4-6H,1-3H3,(H,15,16,17)
InChIKeyYAYKXBCIDRGAPU-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763742
5-bromo-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943059
3,5-dimethyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 58458875
4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 17174163
3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 18105275
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983
1-(3-bromophenyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52708985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide (CID 882261) is 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide is Cc1c(Br)cc(C(=O)Nc2nccs2)c(C)c1C.
What is the InChIKey of 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YAYKXBCIDRGAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-7-8(2)10(6-11(14)9(7)3)12(17)16-13-15-4-5-18-13/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide?
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 325.23 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 882261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).