3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide

C14H17BrN2O3S — CID 17391545

IUPAC3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h7-8H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyHVNMIMNQXQIGCW-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.08
Rot. Bonds5

About 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide

3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide (PubChem CID 17391545) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
PubChem CID17391545
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h7-8H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyHVNMIMNQXQIGCW-UHFFFAOYSA-N
XLogP3.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.08
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-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
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-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide (CID 17391545) is 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NC2=NCCS2)cc1OC.
What is the InChIKey of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide?
The InChIKey is HVNMIMNQXQIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-3-5-20-12-10(15)7-9(8-11(12)19-2)13(18)17-14-16-4-6-21-14/h7-8H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide?
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide has a molecular weight of 373.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 17391545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).