N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide

C20H21N3OS — CID 9356285

IUPACN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-2-6-19(24)22-17-11-9-16(10-12-17)18-14-25-20(23-18)21-13-15-7-4-3-5-8-15/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWXKVIOLGBLHGMK-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.16
Rot. Bonds7

About N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide

N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 9356285) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID9356285
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-2-6-19(24)22-17-11-9-16(10-12-17)18-14-25-20(23-18)21-13-15-7-4-3-5-8-15/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWXKVIOLGBLHGMK-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
[2-(4-methylanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957336
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide (CID 9356285) is N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is WXKVIOLGBLHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-6-19(24)22-17-11-9-16(10-12-17)18-14-25-20(23-18)21-13-15-7-4-3-5-8-15/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide?
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 351.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 9356285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).