5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

C18H13BrN2O2S — CID 3385821

IUPAC5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(C)cccc3s2)oc2ccc(Br)cc12
InChIInChI=1S/C18H13BrN2O2S/c1-9-4-3-5-14-15(9)20-18(24-14)21-17(22)16-10(2)12-8-11(19)6-7-13(12)23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyPDSURWJOEGAEHK-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.67
Rot. Bonds2

About 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 3385821) has the molecular formula C18H13BrN2O2S and a molecular weight of 401.29 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID3385821
Molecular FormulaC18H13BrN2O2S
Molecular Weight401.29 g/mol
Exact Mass399.99
IUPAC Name5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(C)cccc3s2)oc2ccc(Br)cc12
InChIInChI=1S/C18H13BrN2O2S/c1-9-4-3-5-14-15(9)20-18(24-14)21-17(22)16-10(2)12-8-11(19)6-7-13(12)23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyPDSURWJOEGAEHK-UHFFFAOYSA-N
XLogP5.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-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

5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
CID 9405214
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489
5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 17420094
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
CID 75403675
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (CID 3385821) is 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3c(C)cccc3s2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is PDSURWJOEGAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2S/c1-9-4-3-5-14-15(9)20-18(24-14)21-17(22)16-10(2)12-8-11(19)6-7-13(12)23-16/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3385821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).