N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide

C14H16N4O4S — CID 119105374

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H16N4O4S/c19-11-6-22-14(21)18(11)5-8-3-17(4-8)13(20)16-12-15-10(7-23-12)9-1-2-9/h7-9H,1-6H2,(H,15,16,20)
InChIKeyVVORWAOHKDJZJB-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.46
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide (PubChem CID 119105374) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide
PubChem CID119105374
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H16N4O4S/c19-11-6-22-14(21)18(11)5-8-3-17(4-8)13(20)16-12-15-10(7-23-12)9-1-2-9/h7-9H,1-6H2,(H,15,16,20)
InChIKeyVVORWAOHKDJZJB-UHFFFAOYSA-N
XLogP1.46
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide (CID 119105374) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide is O=C(Nc1nc(C2CC2)cs1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide?
The InChIKey is VVORWAOHKDJZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c19-11-6-22-14(21)18(11)5-8-3-17(4-8)13(20)16-12-15-10(7-23-12)9-1-2-9/h7-9H,1-6H2,(H,15,16,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 119105374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).