N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

C24H24N4O2S — CID 56924952

IUPACN-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccccc4)cc3)C2)C1)c1nccs1
InChIInChI=1S/C24H24N4O2S/c29-22(23-25-10-11-31-23)26-20-13-27(14-20)21-15-28(16-21)24(30)19-8-6-18(7-9-19)12-17-4-2-1-3-5-17/h1-11,20-21H,12-16H2,(H,26,29)
InChIKeyFWEQRUHCNOUHJS-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.67
Rot. Bonds6

About N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 56924952) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID56924952
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccccc4)cc3)C2)C1)c1nccs1
InChIInChI=1S/C24H24N4O2S/c29-22(23-25-10-11-31-23)26-20-13-27(14-20)21-15-28(16-21)24(30)19-8-6-18(7-9-19)12-17-4-2-1-3-5-17/h1-11,20-21H,12-16H2,(H,26,29)
InChIKeyFWEQRUHCNOUHJS-UHFFFAOYSA-N
XLogP2.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (CID 56924952) is N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is O=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccccc4)cc3)C2)C1)c1nccs1.
What is the InChIKey of N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is FWEQRUHCNOUHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-22(23-25-10-11-31-23)26-20-13-27(14-20)21-15-28(16-21)24(30)19-8-6-18(7-9-19)12-17-4-2-1-3-5-17/h1-11,20-21H,12-16H2,(H,26,29).
What are the key properties of N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56924952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).