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

C14H15BrN2OS — CID 112704951

IUPAC2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ncc(C)s2)c(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-8-4-5-11(12(15)6-8)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,1-3H3,(H,17,18)
InChIKeyCODRVAASOWJTAL-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.01
Rot. Bonds3

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

2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 112704951) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID112704951
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ncc(C)s2)c(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-8-4-5-11(12(15)6-8)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,1-3H3,(H,17,18)
InChIKeyCODRVAASOWJTAL-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
2-bromo-3-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113387325
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115741114
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
5-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-nitrobenzamide
CID 115681363

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 112704951) is 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2ncc(C)s2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CODRVAASOWJTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-8-4-5-11(12(15)6-8)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,1-3H3,(H,17,18).
What are the key properties of 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 339.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 112704951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).