[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

C14H11Cl2NOS2 — CID 99985881

IUPAC[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS2/c15-10-4-3-9(8-11(10)16)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2/t14-/m1/s1
InChIKeyLEUKHDNGHGKPKE-CQSZACIVSA-N
MW344.29 g/mol
LogP4.94
Rot. Bonds2

About [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 99985881) has the molecular formula C14H11Cl2NOS2 and a molecular weight of 344.29 g/mol. Its IUPAC name is [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
PubChem CID99985881
Molecular FormulaC14H11Cl2NOS2
Molecular Weight344.29 g/mol
Exact Mass342.97
IUPAC Name[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS2/c15-10-4-3-9(8-11(10)16)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2/t14-/m1/s1
InChIKeyLEUKHDNGHGKPKE-CQSZACIVSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 42781134
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 3630788
[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7347840
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
(2-propyl-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
CID 122140873
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 122329422
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 122329052
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (CID 99985881) is [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is LEUKHDNGHGKPKE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11Cl2NOS2/c15-10-4-3-9(8-11(10)16)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2/t14-/m1/s1.
What are the key properties of [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 344.29 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 99985881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).