N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

C20H13Cl2N3O3S — CID 2977549

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1
InChIInChI=1S/C20H13Cl2N3O3S/c1-10(26)23-12-3-5-15-18(9-12)29-20(24-15)25-19(27)17-7-6-16(28-17)11-2-4-13(21)14(22)8-11/h2-9H,1H3,(H,23,26)(H,24,25,27)
InChIKeyAXHPUFVZPQDDHV-UHFFFAOYSA-N
MW446.32 g/mol
LogP6.07
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 2977549) has the molecular formula C20H13Cl2N3O3S and a molecular weight of 446.32 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID2977549
Molecular FormulaC20H13Cl2N3O3S
Molecular Weight446.32 g/mol
Exact Mass445.01
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1
InChIInChI=1S/C20H13Cl2N3O3S/c1-10(26)23-12-3-5-15-18(9-12)29-20(24-15)25-19(27)17-7-6-16(28-17)11-2-4-13(21)14(22)8-11/h2-9H,1H3,(H,23,26)(H,24,25,27)
InChIKeyAXHPUFVZPQDDHV-UHFFFAOYSA-N
XLogP6.07
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.32
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide with MolForge

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Related Compounds

methyl 2-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128870
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 39380248
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 1395435
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
CID 142733972
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052955
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 167809163
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 2977549) is N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is AXHPUFVZPQDDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3S/c1-10(26)23-12-3-5-15-18(9-12)29-20(24-15)25-19(27)17-7-6-16(28-17)11-2-4-13(21)14(22)8-11/h2-9H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 446.32 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2977549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).