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

C14H15BrN2O2S — CID 103709214

IUPAC2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
SMILESCCc1cnc(CNC(=O)c2cc(OC)ccc2Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-3-10-7-16-13(20-10)8-17-14(18)11-6-9(19-2)4-5-12(11)15/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyDOQRTLXSTPJEHB-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.41
Rot. Bonds5

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

2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide (PubChem CID 103709214) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
PubChem CID103709214
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
SMILESCCc1cnc(CNC(=O)c2cc(OC)ccc2Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-3-10-7-16-13(20-10)8-17-14(18)11-6-9(19-2)4-5-12(11)15/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyDOQRTLXSTPJEHB-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide (CID 103709214) is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide is CCc1cnc(CNC(=O)c2cc(OC)ccc2Br)s1.
What is the InChIKey of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide?
The InChIKey is DOQRTLXSTPJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-3-10-7-16-13(20-10)8-17-14(18)11-6-9(19-2)4-5-12(11)15/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide?
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide has a molecular weight of 355.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 103709214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).