3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

C14H16N2O3S2 — CID 56816685

IUPAC3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H16N2O3S2/c15-13(17)6-7-21(18,19)10-12-9-20-14(16-12)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H2,15,17)
InChIKeyIUKMVGOHTAWMPK-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.52
Rot. Bonds7

About 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (PubChem CID 56816685) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
PubChem CID56816685
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H16N2O3S2/c15-13(17)6-7-21(18,19)10-12-9-20-14(16-12)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H2,15,17)
InChIKeyIUKMVGOHTAWMPK-UHFFFAOYSA-N
XLogP1.52
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
CID 51947148
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
3-(pyridin-3-ylmethylsulfonyl)propanamide
CID 90715302
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (CID 56816685) is 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is IUKMVGOHTAWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c15-13(17)6-7-21(18,19)10-12-9-20-14(16-12)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H2,15,17).
What are the key properties of 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 56816685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).