2-(2-phenylaziridin-2-yl)-1,3-thiazole

C11H10N2S — CID 134908324

IUPAC2-(2-phenylaziridin-2-yl)-1,3-thiazole
SMILESc1ccc(C2(c3nccs3)CN2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-9(5-3-1)11(8-13-11)10-12-6-7-14-10/h1-7,13H,8H2
InChIKeyWTPPPTRPOOJNFT-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-phenylaziridin-2-yl)-1,3-thiazole

2-(2-phenylaziridin-2-yl)-1,3-thiazole (PubChem CID 134908324) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(2-phenylaziridin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-phenylaziridin-2-yl)-1,3-thiazole
PubChem CID134908324
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-(2-phenylaziridin-2-yl)-1,3-thiazole
SMILESc1ccc(C2(c3nccs3)CN2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-9(5-3-1)11(8-13-11)10-12-6-7-14-10/h1-7,13H,8H2
InChIKeyWTPPPTRPOOJNFT-UHFFFAOYSA-N
XLogP1.99
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylaziridin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-phenylaziridin-2-yl)-1,3-thiazole (CID 134908324) is 2-(2-phenylaziridin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-phenylaziridin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-phenylaziridin-2-yl)-1,3-thiazole is c1ccc(C2(c3nccs3)CN2)cc1.
What is the InChIKey of 2-(2-phenylaziridin-2-yl)-1,3-thiazole?
The InChIKey is WTPPPTRPOOJNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-9(5-3-1)11(8-13-11)10-12-6-7-14-10/h1-7,13H,8H2.
What are the key properties of 2-(2-phenylaziridin-2-yl)-1,3-thiazole?
2-(2-phenylaziridin-2-yl)-1,3-thiazole has a molecular weight of 202.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylaziridin-2-yl)-1,3-thiazole is sourced from PubChem (CID 134908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).