N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide

C23H20N4OS — CID 175460363

IUPACN-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CNc3ccccc3)s2)cc1
InChIInChI=1S/C23H20N4OS/c24-20-8-4-5-9-21(20)27-22(28)16-10-12-17(13-11-16)23-26-15-19(29-23)14-25-18-6-2-1-3-7-18/h1-13,15,25H,14,24H2,(H,27,28)
InChIKeyRBVOLVRZLYKTAA-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.26
Rot. Bonds6

About N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide

N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 175460363) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID175460363
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CNc3ccccc3)s2)cc1
InChIInChI=1S/C23H20N4OS/c24-20-8-4-5-9-21(20)27-22(28)16-10-12-17(13-11-16)23-26-15-19(29-23)14-25-18-6-2-1-3-7-18/h1-13,15,25H,14,24H2,(H,27,28)
InChIKeyRBVOLVRZLYKTAA-UHFFFAOYSA-N
XLogP5.26
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.26
H-Bond Donors ≤ 53
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-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide (CID 175460363) is N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2ncc(CNc3ccccc3)s2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RBVOLVRZLYKTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c24-20-8-4-5-9-21(20)27-22(28)16-10-12-17(13-11-16)23-26-15-19(29-23)14-25-18-6-2-1-3-7-18/h1-13,15,25H,14,24H2,(H,27,28).
What are the key properties of N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 400.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(anilinomethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 175460363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).