3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide

C14H16BrN3O3S — CID 18076244

IUPAC3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nnc(C)s2)cc1OC
InChIInChI=1S/C14H16BrN3O3S/c1-4-5-21-12-10(15)6-9(7-11(12)20-3)13(19)16-14-18-17-8(2)22-14/h6-7H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyJDIGLRZAOQQIHG-UHFFFAOYSA-N
MW386.27 g/mol
LogP3.66
Rot. Bonds6

About 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide

3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (PubChem CID 18076244) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
PubChem CID18076244
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC Name3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nnc(C)s2)cc1OC
InChIInChI=1S/C14H16BrN3O3S/c1-4-5-21-12-10(15)6-9(7-11(12)20-3)13(19)16-14-18-17-8(2)22-14/h6-7H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyJDIGLRZAOQQIHG-UHFFFAOYSA-N
XLogP3.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
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-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
CID 17391545
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (CID 18076244) is 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2nnc(C)s2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The InChIKey is JDIGLRZAOQQIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c1-4-5-21-12-10(15)6-9(7-11(12)20-3)13(19)16-14-18-17-8(2)22-14/h6-7H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide has a molecular weight of 386.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 18076244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).