N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide

C24H21F3N4O2S — CID 56924918

IUPACN-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)C1)c1cscn1
InChIInChI=1S/C24H21F3N4O2S/c25-24(26,27)18-3-1-2-17(8-18)15-4-6-16(7-5-15)23(33)31-11-20(12-31)30-9-19(10-30)29-22(32)21-13-34-14-28-21/h1-8,13-14,19-20H,9-12H2,(H,29,32)
InChIKeyYWMDSNVDGRPXRF-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.77
Rot. Bonds5

About N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide

N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 56924918) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID56924918
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC NameN-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)C1)c1cscn1
InChIInChI=1S/C24H21F3N4O2S/c25-24(26,27)18-3-1-2-17(8-18)15-4-6-16(7-5-15)23(33)31-11-20(12-31)30-9-19(10-30)29-22(32)21-13-34-14-28-21/h1-8,13-14,19-20H,9-12H2,(H,29,32)
InChIKeyYWMDSNVDGRPXRF-UHFFFAOYSA-N
XLogP3.77
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.77
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-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide (CID 56924918) is N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CN(C2CN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)C1)c1cscn1.
What is the InChIKey of N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YWMDSNVDGRPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c25-24(26,27)18-3-1-2-17(8-18)15-4-6-16(7-5-15)23(33)31-11-20(12-31)30-9-19(10-30)29-22(32)21-13-34-14-28-21/h1-8,13-14,19-20H,9-12H2,(H,29,32).
What are the key properties of N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56924918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).