3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H12BrFN2OS — CID 103706683

IUPAC3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrFN2OS/c1-8-7-19-12(17-8)4-5-16-13(18)9-2-3-11(15)10(14)6-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)
InChIKeyUZXGXLWVOZWQCH-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.33
Rot. Bonds4

About 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103706683) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103706683
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrFN2OS/c1-8-7-19-12(17-8)4-5-16-13(18)9-2-3-11(15)10(14)6-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)
InChIKeyUZXGXLWVOZWQCH-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113286157
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 103706683) is 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is UZXGXLWVOZWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c1-8-7-19-12(17-8)4-5-16-13(18)9-2-3-11(15)10(14)6-9/h2-3,6-7H,4-5H2,1H3,(H,16,18).
What are the key properties of 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 343.22 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103706683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).