N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide

C19H12Cl2N2O3S — CID 39380248

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCOc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl
InChIInChI=1S/C19H12Cl2N2O3S/c1-25-16-9-17-13(8-12(16)21)22-19(27-17)23-18(24)15-7-6-14(26-15)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,22,23,24)
InChIKeyYIROMTSHLGJSEH-UHFFFAOYSA-N
MW419.29 g/mol
LogP6.12
Rot. Bonds4

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 39380248) has the molecular formula C19H12Cl2N2O3S and a molecular weight of 419.29 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID39380248
Molecular FormulaC19H12Cl2N2O3S
Molecular Weight419.29 g/mol
Exact Mass417.99
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCOc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl
InChIInChI=1S/C19H12Cl2N2O3S/c1-25-16-9-17-13(8-12(16)21)22-19(27-17)23-18(24)15-7-6-14(26-15)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,22,23,24)
InChIKeyYIROMTSHLGJSEH-UHFFFAOYSA-N
XLogP6.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.29
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128870
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 2977549
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3161344
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
4-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 40614068
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
5-(3-chlorophenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 17177214
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide (CID 39380248) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide is COc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is YIROMTSHLGJSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3S/c1-25-16-9-17-13(8-12(16)21)22-19(27-17)23-18(24)15-7-6-14(26-15)10-2-4-11(20)5-3-10/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide?
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 419.29 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 39380248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).