1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone

C14H14N2OS — CID 116611743

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
SMILESNc1ccc(C2(C(=O)Cc3cncs3)CC2)cc1
InChIInChI=1S/C14H14N2OS/c15-11-3-1-10(2-4-11)14(5-6-14)13(17)7-12-8-16-9-18-12/h1-4,8-9H,5-7,15H2
InChIKeyRLNGSIGMLCUGJR-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.57
Rot. Bonds4

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116611743) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116611743
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
SMILESNc1ccc(C2(C(=O)Cc3cncs3)CC2)cc1
InChIInChI=1S/C14H14N2OS/c15-11-3-1-10(2-4-11)14(5-6-14)13(17)7-12-8-16-9-18-12/h1-4,8-9H,5-7,15H2
InChIKeyRLNGSIGMLCUGJR-UHFFFAOYSA-N
XLogP2.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone (CID 116611743) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone is Nc1ccc(C2(C(=O)Cc3cncs3)CC2)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is RLNGSIGMLCUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-11-3-1-10(2-4-11)14(5-6-14)13(17)7-12-8-16-9-18-12/h1-4,8-9H,5-7,15H2.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 258.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).