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

C22H23N3O2S — CID 9233346

IUPACN-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-6-20(26)24-18-11-9-17(10-12-18)19-15-28-22(25-19)13-21(27)23-14-16-7-4-3-5-8-16/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyHPABAQWQNHWDIJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.41
Rot. Bonds8

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

N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 9233346) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID9233346
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-6-20(26)24-18-11-9-17(10-12-18)19-15-28-22(25-19)13-21(27)23-14-16-7-4-3-5-8-16/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyHPABAQWQNHWDIJ-UHFFFAOYSA-N
XLogP4.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 9233028
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide (CID 9233346) is N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is HPABAQWQNHWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-6-20(26)24-18-11-9-17(10-12-18)19-15-28-22(25-19)13-21(27)23-14-16-7-4-3-5-8-16/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide?
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 393.51 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 9233346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).