(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone

C14H15N3O3S — CID 166268783

IUPAC(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CC(c2ccccc2)CS1(=O)=O
InChIInChI=1S/C14H15N3O3S/c1-10-13(16-9-15-10)14(18)17-7-12(8-21(17,19)20)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,15,16)
InChIKeyACCPIHMXXVAUMP-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.29
Rot. Bonds2

About (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone

(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone (PubChem CID 166268783) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone
PubChem CID166268783
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CC(c2ccccc2)CS1(=O)=O
InChIInChI=1S/C14H15N3O3S/c1-10-13(16-9-15-10)14(18)17-7-12(8-21(17,19)20)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,15,16)
InChIKeyACCPIHMXXVAUMP-UHFFFAOYSA-N
XLogP1.29
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone?
The IUPAC name of (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone (CID 166268783) is (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone is Cc1[nH]cnc1C(=O)N1CC(c2ccccc2)CS1(=O)=O.
What is the InChIKey of (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone?
The InChIKey is ACCPIHMXXVAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-13(16-9-15-10)14(18)17-7-12(8-21(17,19)20)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,15,16).
What are the key properties of (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone?
(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-(5-methyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 166268783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).