N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide

C23H22N2O3S — CID 46846615

IUPACN-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC3)c(C)s2)c2c1oc1ccccc12
InChIInChI=1S/C23H22N2O3S/c1-13-20(22(26)24-14-7-3-4-8-14)25-23(29-13)16-11-12-18(27-2)21-19(16)15-9-5-6-10-17(15)28-21/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyZHOHAZRRAMYKDD-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.70
Rot. Bonds4

About N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46846615) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID46846615
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC3)c(C)s2)c2c1oc1ccccc12
InChIInChI=1S/C23H22N2O3S/c1-13-20(22(26)24-14-7-3-4-8-14)25-23(29-13)16-11-12-18(27-2)21-19(16)15-9-5-6-10-17(15)28-21/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyZHOHAZRRAMYKDD-UHFFFAOYSA-N
XLogP5.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 46846615) is N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCCC3)c(C)s2)c2c1oc1ccccc12.
What is the InChIKey of N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZHOHAZRRAMYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-13-20(22(26)24-14-7-3-4-8-14)25-23(29-13)16-11-12-18(27-2)21-19(16)15-9-5-6-10-17(15)28-21/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).