N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide

C23H15ClN2O3S — CID 46846609

IUPACN-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C23H15ClN2O3S/c1-28-19-11-10-16(20-15-4-2-3-5-18(15)29-21(19)20)23-26-17(12-30-23)22(27)25-14-8-6-13(24)7-9-14/h2-12H,1H3,(H,25,27)
InChIKeySNJRJSZZCORITH-UHFFFAOYSA-N
MW434.90 g/mol
LogP6.62
Rot. Bonds4

About N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide

N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46846609) has the molecular formula C23H15ClN2O3S and a molecular weight of 434.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID46846609
Molecular FormulaC23H15ClN2O3S
Molecular Weight434.90 g/mol
Exact Mass434.05
IUPAC NameN-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C23H15ClN2O3S/c1-28-19-11-10-16(20-15-4-2-3-5-18(15)29-21(19)20)23-26-17(12-30-23)22(27)25-14-8-6-13(24)7-9-14/h2-12H,1H3,(H,25,27)
InChIKeySNJRJSZZCORITH-UHFFFAOYSA-N
XLogP6.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide (CID 46846609) is N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)c2c1oc1ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SNJRJSZZCORITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3S/c1-28-19-11-10-16(20-15-4-2-3-5-18(15)29-21(19)20)23-26-17(12-30-23)22(27)25-14-8-6-13(24)7-9-14/h2-12H,1H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.90 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).