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

C14H15BrN2O2S — CID 121122720

IUPAC2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2sc(C)nc2C)c1
InChIInChI=1S/C14H15BrN2O2S/c1-8-13(20-9(2)17-8)7-16-14(18)11-6-10(19-3)4-5-12(11)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyLPOYFHSAFOCCIN-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.46
Rot. Bonds4

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

2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide (PubChem CID 121122720) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
PubChem CID121122720
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2sc(C)nc2C)c1
InChIInChI=1S/C14H15BrN2O2S/c1-8-13(20-9(2)17-8)7-16-14(18)11-6-10(19-3)4-5-12(11)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyLPOYFHSAFOCCIN-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
(E)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide (CID 121122720) is 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2sc(C)nc2C)c1.
What is the InChIKey of 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide?
The InChIKey is LPOYFHSAFOCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-8-13(20-9(2)17-8)7-16-14(18)11-6-10(19-3)4-5-12(11)15/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide?
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide has a molecular weight of 355.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 121122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).