N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide

C17H16ClN3S2 — CID 3707888

IUPACN-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
SMILESCc1ccccc1/N=C1\SCCN1C(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3S2/c1-12-5-2-3-8-15(12)20-17-21(9-10-23-17)16(22)19-14-7-4-6-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,22)/b20-17-
InChIKeyQPYBRXPFBBURFX-JZJYNLBNSA-N
MW361.92 g/mol
LogP5.08
Rot. Bonds2

About N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide

N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide (PubChem CID 3707888) has the molecular formula C17H16ClN3S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
PubChem CID3707888
Molecular FormulaC17H16ClN3S2
Molecular Weight361.92 g/mol
Exact Mass361.05
IUPAC NameN-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
SMILESCc1ccccc1/N=C1\SCCN1C(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3S2/c1-12-5-2-3-8-15(12)20-17-21(9-10-23-17)16(22)19-14-7-4-6-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,22)/b20-17-
InChIKeyQPYBRXPFBBURFX-JZJYNLBNSA-N
XLogP5.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[(1E,7E)-cyclododeca-1,7-dien-1-yl]imino-1,3-thiazolidine-3-carbothioamide
CID 88765557
(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide
CID 51063004
N-(3-chlorophenyl)-5-methyl-2-(2-methylthiophen-3-yl)imino-1,3-thiazolidine-3-carbothioamide
CID 88763914
N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide
CID 5171375
2-[3-(2-chloro-4-cyano-5-methylsulfanylphenyl)-2-(4-ethylsulfanylphenyl)propyl]imino-N-(3-chlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 20570109
N-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974
2-phenylimino-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-thiazolidine-3-carbothioamide
CID 12784266
N-(4-chlorophenyl)-2-cyclopropylimino-1,3-thiazolidine-3-carbothioamide
CID 134113995
N-(3-chlorophenyl)-2-ethyl-1,3-thiazolidine-3-carbothioamide
CID 12783490
N-(3-chlorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 12784223
(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide
CID 20570157
2-[1-(2-chloro-3-methylphenyl)-2-(3-fluorophenyl)ethyl]imino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carbothioamide
CID 25168804

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide (CID 3707888) is N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide is Cc1ccccc1/N=C1\SCCN1C(=S)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide?
The InChIKey is QPYBRXPFBBURFX-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H16ClN3S2/c1-12-5-2-3-8-15(12)20-17-21(9-10-23-17)16(22)19-14-7-4-6-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,22)/b20-17-.
What are the key properties of N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide?
N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide has a molecular weight of 361.92 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 3707888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).