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

C20H22N4OS — CID 25023855

IUPACN-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1
InChIInChI=1S/C20H22N4OS/c1-2-11-22-12-16-13-23-20(26-16)15-9-7-14(8-10-15)19(25)24-18-6-4-3-5-17(18)21/h3-10,13,22H,2,11-12,21H2,1H3,(H,24,25)
InChIKeyVDVPSIREDHINBU-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.14
Rot. Bonds7

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

N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 25023855) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID25023855
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1
InChIInChI=1S/C20H22N4OS/c1-2-11-22-12-16-13-23-20(26-16)15-9-7-14(8-10-15)19(25)24-18-6-4-3-5-17(18)21/h3-10,13,22H,2,11-12,21H2,1H3,(H,24,25)
InChIKeyVDVPSIREDHINBU-UHFFFAOYSA-N
XLogP4.14
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide (CID 25023855) is N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide is CCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VDVPSIREDHINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-11-22-12-16-13-23-20(26-16)15-9-7-14(8-10-15)19(25)24-18-6-4-3-5-17(18)21/h3-10,13,22H,2,11-12,21H2,1H3,(H,24,25).
What are the key properties of N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.14, 7 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-(propylaminomethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 25023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).