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

C14H15BrN2O3S — CID 4797157

IUPAC3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h4,6-8H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyUQJZXCHXCRLIHU-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.96
Rot. Bonds6

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

3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4797157) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4797157
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h4,6-8H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyUQJZXCHXCRLIHU-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 18105275
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
CID 17391545
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
CID 30134855
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
CID 9479373

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide (CID 4797157) is 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide is CCCOc1c(Br)cc(C(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UQJZXCHXCRLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h4,6-8H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide?
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 371.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4797157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).