(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide

C14H13ClN2S3 — CID 778002

IUPAC(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1cccs1
InChIInChI=1S/C14H13ClN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18)/t13-/m1/s1
InChIKeyHLQMQYSIQMQHLL-CYBMUJFWSA-N
MW340.93 g/mol
LogP4.85
Rot. Bonds2

About (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide

(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide (PubChem CID 778002) has the molecular formula C14H13ClN2S3 and a molecular weight of 340.93 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
PubChem CID778002
Molecular FormulaC14H13ClN2S3
Molecular Weight340.93 g/mol
Exact Mass339.99
IUPAC Name(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1cccs1
InChIInChI=1S/C14H13ClN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18)/t13-/m1/s1
InChIKeyHLQMQYSIQMQHLL-CYBMUJFWSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.93
LogP ≤ 54.85
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

(2S)-N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 8727842
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 3381826
(2R)-N-(3,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816275
(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816261
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 4766744
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
N,N-dimethyl-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 42781016
1-N,4-N-bis(4-chlorophenyl)piperazine-1,4-dicarbothioamide
CID 4076221
(2S)-N-(4-methoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 8658799
N-(4-methoxyphenyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 5235234
N-(3-chlorophenyl)-2-ethyl-1,3-thiazolidine-3-carbothioamide
CID 12783490
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide (CID 778002) is (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide is S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The InChIKey is HLQMQYSIQMQHLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13ClN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide has a molecular weight of 340.93 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 778002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).