N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide

C24H26N4O2S — CID 156819972

IUPACN-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide
SMILESCNc1nc(-c2cccc(-c3cccc(CNC(=O)C4CN(CCC=O)C4)c3)c2)cs1
InChIInChI=1S/C24H26N4O2S/c1-25-24-27-22(16-31-24)20-8-3-7-19(12-20)18-6-2-5-17(11-18)13-26-23(30)21-14-28(15-21)9-4-10-29/h2-3,5-8,10-12,16,21H,4,9,13-15H2,1H3,(H,25,27)(H,26,30)
InChIKeyAFDJOKNUHMAUDL-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.66
Rot. Bonds9

About N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide

N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide (PubChem CID 156819972) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide
PubChem CID156819972
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide
SMILESCNc1nc(-c2cccc(-c3cccc(CNC(=O)C4CN(CCC=O)C4)c3)c2)cs1
InChIInChI=1S/C24H26N4O2S/c1-25-24-27-22(16-31-24)20-8-3-7-19(12-20)18-6-2-5-17(11-18)13-26-23(30)21-14-28(15-21)9-4-10-29/h2-3,5-8,10-12,16,21H,4,9,13-15H2,1H3,(H,25,27)(H,26,30)
InChIKeyAFDJOKNUHMAUDL-UHFFFAOYSA-N
XLogP3.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-3-oxopropyl)-N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]piperidine-4-carboxamide
CID 166695116
N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 126842029
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420564
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
N-(4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylazetidine-3-carboxamide
CID 170709743
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
1-methyl-4,5-dioxo-N-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 123165000
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-cyclopropylideneethyl]-1-methylpyrrole-3-carboxamide
CID 154667700
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 166383933

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide?
The IUPAC name of N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide (CID 156819972) is N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide?
The canonical SMILES for N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide is CNc1nc(-c2cccc(-c3cccc(CNC(=O)C4CN(CCC=O)C4)c3)c2)cs1.
What is the InChIKey of N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide?
The InChIKey is AFDJOKNUHMAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-25-24-27-22(16-31-24)20-8-3-7-19(12-20)18-6-2-5-17(11-18)13-26-23(30)21-14-28(15-21)9-4-10-29/h2-3,5-8,10-12,16,21H,4,9,13-15H2,1H3,(H,25,27)(H,26,30).
What are the key properties of N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide?
N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]phenyl]methyl]-1-(3-oxopropyl)azetidine-3-carboxamide is sourced from PubChem (CID 156819972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).