N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide

C11H14N2OS2 — CID 43702716

IUPACN-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CSCN1
InChIInChI=1S/C11H14N2OS2/c1-15-10-5-3-2-4-8(10)13-11(14)9-6-16-7-12-9/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyJVJJUJLWRFSHCJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.01
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide

N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43702716) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43702716
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC NameN-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CSCN1
InChIInChI=1S/C11H14N2OS2/c1-15-10-5-3-2-4-8(10)13-11(14)9-6-16-7-12-9/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyJVJJUJLWRFSHCJ-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24711846
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43704766
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-methylsulfanylphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798034
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide (CID 43702716) is N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide is CSc1ccccc1NC(=O)C1CSCN1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JVJJUJLWRFSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-15-10-5-3-2-4-8(10)13-11(14)9-6-16-7-12-9/h2-5,9,12H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43702716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).