N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide

C12H16N2OS — CID 24703459

IUPACN-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C12H16N2OS/c1-2-9-4-3-5-10(6-9)14-12(15)11-7-16-8-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyULDLTLSNMUAPNQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.85
Rot. Bonds3

About N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide

N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24703459) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID24703459
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C12H16N2OS/c1-2-9-4-3-5-10(6-9)14-12(15)11-7-16-8-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyULDLTLSNMUAPNQ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329973
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 110745260

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide (CID 24703459) is N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide is CCc1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ULDLTLSNMUAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-9-4-3-5-10(6-9)14-12(15)11-7-16-8-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24703459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).