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

C14H15BrN2O3S — CID 31287291

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCOc1c(Br)cc(C(=O)/N=c2/sccn2C)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)7-9(8-11(12)19-3)13(18)16-14-17(2)5-6-21-14/h5-8H,4H2,1-3H3/b16-14+
InChIKeyKDRYRUQCEODMOT-JQIJEIRASA-N
MW371.26 g/mol
LogP3.00
Rot. Bonds4

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

3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 31287291) 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-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID31287291
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCOc1c(Br)cc(C(=O)/N=c2/sccn2C)cc1OC
InChIInChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)7-9(8-11(12)19-3)13(18)16-14-17(2)5-6-21-14/h5-8H,4H2,1-3H3/b16-14+
InChIKeyKDRYRUQCEODMOT-JQIJEIRASA-N
XLogP3.00
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 31287291) is 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CCOc1c(Br)cc(C(=O)/N=c2/sccn2C)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is KDRYRUQCEODMOT-JQIJEIRASA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-4-20-12-10(15)7-9(8-11(12)19-3)13(18)16-14-17(2)5-6-21-14/h5-8H,4H2,1-3H3/b16-14+.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 371.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 31287291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).