3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C14H15BrN2O3S — CID 4814407

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)5-9(6-11(12)19-3)13(18)17-14-16-7-8(2)21-14/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyJEXQFSZOEKIZQO-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.87
Rot. Bonds5

About 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4814407) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID4814407
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)5-9(6-11(12)19-3)13(18)17-14-16-7-8(2)21-14/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyJEXQFSZOEKIZQO-UHFFFAOYSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4817060
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 4814407) is 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CCOc1c(Br)cc(C(=O)Nc2ncc(C)s2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JEXQFSZOEKIZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)5-9(6-11(12)19-3)13(18)17-14-16-7-8(2)21-14/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 371.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4814407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).