N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

C24H20FN3O3S — CID 67018139

IUPACN-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20FN3O3S/c1-14-27-21(22(32-14)15-5-7-16(25)8-6-15)24(30)28-11-9-17(28)13-26-23(29)19-3-2-4-20-18(19)10-12-31-20/h2-8,10,12,17H,9,11,13H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyBGGKLKMXFSAFRW-QGZVFWFLSA-N
MW449.51 g/mol
LogP4.65
Rot. Bonds5

About N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (PubChem CID 67018139) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
PubChem CID67018139
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20FN3O3S/c1-14-27-21(22(32-14)15-5-7-16(25)8-6-15)24(30)28-11-9-17(28)13-26-23(29)19-3-2-4-20-18(19)10-12-31-20/h2-8,10,12,17H,9,11,13H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyBGGKLKMXFSAFRW-QGZVFWFLSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (CID 67018139) is N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is Cc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The InChIKey is BGGKLKMXFSAFRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-14-27-21(22(32-14)15-5-7-16(25)8-6-15)24(30)28-11-9-17(28)13-26-23(29)19-3-2-4-20-18(19)10-12-31-20/h2-8,10,12,17H,9,11,13H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).