N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

C23H19N3OS2 — CID 59160871

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1
InChIInChI=1S/C23H19N3OS2/c24-18-8-5-16(20-2-1-12-28-20)14-19(18)26-21(27)15-3-6-17(7-4-15)23(9-10-23)22-25-11-13-29-22/h1-8,11-14H,9-10,24H2,(H,26,27)
InChIKeyQKZORARHNZTNSQ-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.79
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (PubChem CID 59160871) has the molecular formula C23H19N3OS2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
PubChem CID59160871
Molecular FormulaC23H19N3OS2
Molecular Weight417.56 g/mol
Exact Mass417.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1
InChIInChI=1S/C23H19N3OS2/c24-18-8-5-16(20-2-1-12-28-20)14-19(18)26-21(27)15-3-6-17(7-4-15)23(9-10-23)22-25-11-13-29-22/h1-8,11-14H,9-10,24H2,(H,26,27)
InChIKeyQKZORARHNZTNSQ-UHFFFAOYSA-N
XLogP5.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (CID 59160871) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The InChIKey is QKZORARHNZTNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS2/c24-18-8-5-16(20-2-1-12-28-20)14-19(18)26-21(27)15-3-6-17(7-4-15)23(9-10-23)22-25-11-13-29-22/h1-8,11-14H,9-10,24H2,(H,26,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 59160871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).