2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

C19H12Cl2N2O3S — CID 44916137

IUPAC2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc2oc(-c3csc(NC(=O)c4cc(Cl)ccc4Cl)n3)cc2c1
InChIInChI=1S/C19H12Cl2N2O3S/c1-25-12-3-5-16-10(6-12)7-17(26-16)15-9-27-19(22-15)23-18(24)13-8-11(20)2-4-14(13)21/h2-9H,1H3,(H,22,23,24)
InChIKeyJBXREWAHPPJHMM-UHFFFAOYSA-N
MW419.29 g/mol
LogP6.12
Rot. Bonds4

About 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 44916137) has the molecular formula C19H12Cl2N2O3S and a molecular weight of 419.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID44916137
Molecular FormulaC19H12Cl2N2O3S
Molecular Weight419.29 g/mol
Exact Mass417.99
IUPAC Name2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc2oc(-c3csc(NC(=O)c4cc(Cl)ccc4Cl)n3)cc2c1
InChIInChI=1S/C19H12Cl2N2O3S/c1-25-12-3-5-16-10(6-12)7-17(26-16)15-9-27-19(22-15)23-18(24)13-8-11(20)2-4-14(13)21/h2-9H,1H3,(H,22,23,24)
InChIKeyJBXREWAHPPJHMM-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

4-ethylsulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916198
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207167
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (CID 44916137) is 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is COc1ccc2oc(-c3csc(NC(=O)c4cc(Cl)ccc4Cl)n3)cc2c1.
What is the InChIKey of 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JBXREWAHPPJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3S/c1-25-12-3-5-16-10(6-12)7-17(26-16)15-9-27-19(22-15)23-18(24)13-8-11(20)2-4-14(13)21/h2-9H,1H3,(H,22,23,24).
What are the key properties of 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide 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 2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 44916137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).