N-benzyl-1,3-thiazolidine-4-carboxamide

C11H14N2OS — CID 24693076

IUPACN-benzyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1
InChIInChI=1S/C11H14N2OS/c14-11(10-7-15-8-13-10)12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,12,14)
InChIKeyXSIQMBNEISIBQD-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.97
Rot. Bonds3

About N-benzyl-1,3-thiazolidine-4-carboxamide

N-benzyl-1,3-thiazolidine-4-carboxamide (PubChem CID 24693076) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-benzyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3-thiazolidine-4-carboxamide
PubChem CID24693076
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-benzyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1
InChIInChI=1S/C11H14N2OS/c14-11(10-7-15-8-13-10)12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,12,14)
InChIKeyXSIQMBNEISIBQD-UHFFFAOYSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
CID 119302039
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119876122
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-1,3-thiazolidine-4-carboxamide (CID 24693076) is N-benzyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)C1CSCN1.
What is the InChIKey of N-benzyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XSIQMBNEISIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(10-7-15-8-13-10)12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,12,14).
What are the key properties of N-benzyl-1,3-thiazolidine-4-carboxamide?
N-benzyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24693076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).