N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide

C23H24N6O3S — CID 139437096

IUPACN,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(-c5nccs5)cc4)C3=O)cn2)C1
InChIInChI=1S/C23H24N6O3S/c1-27(2)21(30)16-13-28(14-16)23-25-11-17(12-26-23)29-9-7-19(22(29)31)32-18-5-3-15(4-6-18)20-24-8-10-33-20/h3-6,8,10-12,16,19H,7,9,13-14H2,1-2H3/t19-/m1/s1
InChIKeyFHSLLYSFFKGMPJ-LJQANCHMSA-N
MW464.55 g/mol
LogP2.31
Rot. Bonds6

About N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide

N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide (PubChem CID 139437096) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
PubChem CID139437096
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(-c5nccs5)cc4)C3=O)cn2)C1
InChIInChI=1S/C23H24N6O3S/c1-27(2)21(30)16-13-28(14-16)23-25-11-17(12-26-23)29-9-7-19(22(29)31)32-18-5-3-15(4-6-18)20-24-8-10-33-20/h3-6,8,10-12,16,19H,7,9,13-14H2,1-2H3/t19-/m1/s1
InChIKeyFHSLLYSFFKGMPJ-LJQANCHMSA-N
XLogP2.31
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide (CID 139437096) is N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide is CN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(-c5nccs5)cc4)C3=O)cn2)C1.
What is the InChIKey of N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The InChIKey is FHSLLYSFFKGMPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-27(2)21(30)16-13-28(14-16)23-25-11-17(12-26-23)29-9-7-19(22(29)31)32-18-5-3-15(4-6-18)20-24-8-10-33-20/h3-6,8,10-12,16,19H,7,9,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 139437096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).