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

C14H15BrN2OS — CID 113245129

IUPAC3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
SMILESCCc1cnc(CNC(=O)c2cccc(Br)c2C)s1
InChIInChI=1S/C14H15BrN2OS/c1-3-10-7-16-13(19-10)8-17-14(18)11-5-4-6-12(15)9(11)2/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyFQLBPBSJYWBFEE-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.71
Rot. Bonds4

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

3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide (PubChem CID 113245129) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
PubChem CID113245129
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
SMILESCCc1cnc(CNC(=O)c2cccc(Br)c2C)s1
InChIInChI=1S/C14H15BrN2OS/c1-3-10-7-16-13(19-10)8-17-14(18)11-5-4-6-12(15)9(11)2/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyFQLBPBSJYWBFEE-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
2-(2-amino-2-oxoethoxy)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119138842
2-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119186969
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide (CID 113245129) is 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide is CCc1cnc(CNC(=O)c2cccc(Br)c2C)s1.
What is the InChIKey of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide?
The InChIKey is FQLBPBSJYWBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-3-10-7-16-13(19-10)8-17-14(18)11-5-4-6-12(15)9(11)2/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide?
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 113245129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).