N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide

C12H16N2OS2 — CID 23907854

IUPACN-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCSC1
InChIInChI=1S/C12H16N2OS2/c1-2-15-11-6-4-3-5-10(11)13-12(16)14-7-8-17-9-14/h3-6H,2,7-9H2,1H3,(H,13,16)
InChIKeyPCXITKAKKWODNK-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.79
Rot. Bonds3

About N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide

N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide (PubChem CID 23907854) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
PubChem CID23907854
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCSC1
InChIInChI=1S/C12H16N2OS2/c1-2-15-11-6-4-3-5-10(11)13-12(16)14-7-8-17-9-14/h3-6H,2,7-9H2,1H3,(H,13,16)
InChIKeyPCXITKAKKWODNK-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-2,5-dihydropyrrole-1-carbothioamide
CID 23828847
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CID 3863223
N-(2-ethoxyphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
CID 23940100
2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3738607
4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 2957065
N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447258
N-(2-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
CID 19289440
N-(2-ethoxyphenyl)-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 66504659
1-(2-ethoxyphenyl)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiourea
CID 100749072
N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
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CID 65463762

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide (CID 23907854) is N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide is CCOc1ccccc1NC(=S)N1CCSC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The InChIKey is PCXITKAKKWODNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-2-15-11-6-4-3-5-10(11)13-12(16)14-7-8-17-9-14/h3-6H,2,7-9H2,1H3,(H,13,16).
What are the key properties of N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide has a molecular weight of 268.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 23907854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).