N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C15H15N3O2S2 — CID 18130137

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C15H15N3O2S2/c19-13(8-18-10-21-9-14(18)20)17-15-16-7-12(22-15)6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,17,19)
InChIKeyPGDLDJQYVNFSST-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.21
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18130137) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18130137
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C15H15N3O2S2/c19-13(8-18-10-21-9-14(18)20)17-15-16-7-12(22-15)6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,17,19)
InChIKeyPGDLDJQYVNFSST-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78869515
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-(5-benzyl-1,3-thiazol-2-yl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033490
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8916094
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 1095925
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23992686
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18130137) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is PGDLDJQYVNFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c19-13(8-18-10-21-9-14(18)20)17-15-16-7-12(22-15)6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,17,19).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18130137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).