N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide

C24H23N3O2S — CID 146081515

IUPACN-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1
InChIInChI=1S/C24H23N3O2S/c1-15-19(13-21(29-15)17-6-4-3-5-7-17)23(28)26-24-25-20-11-8-16(12-22(20)30-24)14-27(2)18-9-10-18/h3-8,11-13,18H,9-10,14H2,1-2H3,(H,25,26,28)
InChIKeyDMQMGLPIEBDICU-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.71
Rot. Bonds6

About N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide

N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 146081515) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID146081515
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1
InChIInChI=1S/C24H23N3O2S/c1-15-19(13-21(29-15)17-6-4-3-5-7-17)23(28)26-24-25-20-11-8-16(12-22(20)30-24)14-27(2)18-9-10-18/h3-8,11-13,18H,9-10,14H2,1-2H3,(H,25,26,28)
InChIKeyDMQMGLPIEBDICU-UHFFFAOYSA-N
XLogP5.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-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

N-[6-[(dimethylamino)methyl]-1,3-benzothiazol-2-yl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 175160658
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 45497418
butyl 2-[(5-phenylfuran-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17127835
2-bromo-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]benzamide
CID 108760775
3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide
CID 108811464
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-(6-ethyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24564323

Frequently Asked Questions

What is the IUPAC name of N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide (CID 146081515) is N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1.
What is the InChIKey of N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is DMQMGLPIEBDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-19(13-21(29-15)17-6-4-3-5-7-17)23(28)26-24-25-20-11-8-16(12-22(20)30-24)14-27(2)18-9-10-18/h3-8,11-13,18H,9-10,14H2,1-2H3,(H,25,26,28).
What are the key properties of N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-yl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 146081515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).