N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C18H20N4O3S — CID 121018193

IUPACN-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C18H20N4O3S/c23-18(21-15-6-7-26(24,25)11-15)14-9-22(10-14)17-8-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,8,12,14-15H,6-7,9-11H2,(H,21,23)
InChIKeyCORVMAIERBOOKH-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.88
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121018193) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121018193
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C18H20N4O3S/c23-18(21-15-6-7-26(24,25)11-15)14-9-22(10-14)17-8-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,8,12,14-15H,6-7,9-11H2,(H,21,23)
InChIKeyCORVMAIERBOOKH-UHFFFAOYSA-N
XLogP0.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121018193) is N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is CORVMAIERBOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-18(21-15-6-7-26(24,25)11-15)14-9-22(10-14)17-8-16(19-12-20-17)13-4-2-1-3-5-13/h1-5,8,12,14-15H,6-7,9-11H2,(H,21,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121018193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).