(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone

C14H12ClNOS2 — CID 815506

IUPAC(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccs1
InChIInChI=1S/C14H12ClNOS2/c15-11-4-1-3-10(9-11)13(17)16-6-8-19-14(16)12-5-2-7-18-12/h1-5,7,9,14H,6,8H2/t14-/m0/s1
InChIKeyTWFSIPKUDBZXQY-AWEZNQCLSA-N
MW309.84 g/mol
LogP4.29
Rot. Bonds2

About (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone

(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone (PubChem CID 815506) has the molecular formula C14H12ClNOS2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
PubChem CID815506
Molecular FormulaC14H12ClNOS2
Molecular Weight309.84 g/mol
Exact Mass309.00
IUPAC Name(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccs1
InChIInChI=1S/C14H12ClNOS2/c15-11-4-1-3-10(9-11)13(17)16-6-8-19-14(16)12-5-2-7-18-12/h1-5,7,9,14H,6,8H2/t14-/m0/s1
InChIKeyTWFSIPKUDBZXQY-AWEZNQCLSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
N,N-dimethyl-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 42781016
2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 5210952
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone (CID 815506) is (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone is O=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccs1.
What is the InChIKey of (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The InChIKey is TWFSIPKUDBZXQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12ClNOS2/c15-11-4-1-3-10(9-11)13(17)16-6-8-19-14(16)12-5-2-7-18-12/h1-5,7,9,14H,6,8H2/t14-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone has a molecular weight of 309.84 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 815506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).