N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C12H16N2OS2 — CID 110794499

IUPACN-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCSc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H16N2OS2/c1-16-10-4-2-9(3-5-10)6-13-12(15)11-7-17-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,13,15)
InChIKeyVALLIUXGOCQKPW-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.69
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110794499) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110794499
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCSc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H16N2OS2/c1-16-10-4-2-9(3-5-10)6-13-12(15)11-7-17-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,13,15)
InChIKeyVALLIUXGOCQKPW-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
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-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110794499) is N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CSc1ccc(CNC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VALLIUXGOCQKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-16-10-4-2-9(3-5-10)6-13-12(15)11-7-17-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,13,15).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110794499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).