N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C14H11BrN2O2S — CID 2104761

IUPACN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2cc(Br)ccc21
InChIInChI=1S/C14H11BrN2O2S/c1-2-17-10-6-5-9(15)8-12(10)20-14(17)16-13(18)11-4-3-7-19-11/h3-8H,2H2,1H3/b16-14-
InChIKeyHMVOLCRMTFBSTD-PEZBUJJGSA-N
MW351.23 g/mol
LogP3.82
Rot. Bonds2

About N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 2104761) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID2104761
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2cc(Br)ccc21
InChIInChI=1S/C14H11BrN2O2S/c1-2-17-10-6-5-9(15)8-12(10)20-14(17)16-13(18)11-4-3-7-19-11/h3-8H,2H2,1H3/b16-14-
InChIKeyHMVOLCRMTFBSTD-PEZBUJJGSA-N
XLogP3.82
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079509
4-acetyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2104756
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3407742
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 40508521
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2104771
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 5049714
N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4602396
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4295262
methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 3634320
methyl 2-[6-acetamido-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 4146721
4-[benzyl(ethyl)sulfamoyl]-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4124533

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 2104761) is N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is CCn1/c(=N/C(=O)c2ccco2)sc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is HMVOLCRMTFBSTD-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-2-17-10-6-5-9(15)8-12(10)20-14(17)16-13(18)11-4-3-7-19-11/h3-8H,2H2,1H3/b16-14-.
What are the key properties of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 2104761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).