N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide

C21H23N3OS — CID 145489338

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide
SMILESCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C21H23N3OS/c1-3-6-17-7-4-5-8-19(17)22-13-16-9-11-18(12-10-16)20(25)24-21-23-15(2)14-26-21/h4-5,7-12,14,22H,3,6,13H2,1-2H3,(H,23,24,25)
InChIKeyGETHIQUDYMXOSR-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.27
Rot. Bonds7

About N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide (PubChem CID 145489338) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide
PubChem CID145489338
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide
SMILESCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C21H23N3OS/c1-3-6-17-7-4-5-8-19(17)22-13-16-9-11-18(12-10-16)20(25)24-21-23-15(2)14-26-21/h4-5,7-12,14,22H,3,6,13H2,1-2H3,(H,23,24,25)
InChIKeyGETHIQUDYMXOSR-UHFFFAOYSA-N
XLogP5.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide (CID 145489338) is N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide is CCCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide?
The InChIKey is GETHIQUDYMXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-3-6-17-7-4-5-8-19(17)22-13-16-9-11-18(12-10-16)20(25)24-21-23-15(2)14-26-21/h4-5,7-12,14,22H,3,6,13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide is sourced from PubChem (CID 145489338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).