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

C19H20N4OS — CID 11638904

IUPACN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1
InChIInChI=1S/C19H20N4OS/c1-2-21-11-15-12-22-19(25-15)14-9-7-13(8-10-14)18(24)23-17-6-4-3-5-16(17)20/h3-10,12,21H,2,11,20H2,1H3,(H,23,24)
InChIKeyBTWYENOIXSPNND-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.75
Rot. Bonds6

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

N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 11638904) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID11638904
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1
InChIInChI=1S/C19H20N4OS/c1-2-21-11-15-12-22-19(25-15)14-9-7-13(8-10-14)18(24)23-17-6-4-3-5-16(17)20/h3-10,12,21H,2,11,20H2,1H3,(H,23,24)
InChIKeyBTWYENOIXSPNND-UHFFFAOYSA-N
XLogP3.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.75
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-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide (CID 11638904) is N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide is CCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BTWYENOIXSPNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-21-11-15-12-22-19(25-15)14-9-7-13(8-10-14)18(24)23-17-6-4-3-5-16(17)20/h3-10,12,21H,2,11,20H2,1H3,(H,23,24).
What are the key properties of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 3.75, 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-(ethylaminomethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 11638904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).