[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

C13H13NOS3 — CID 7347840

IUPAC[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1ccc([C@@H]2SCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C13H13NOS3/c1-9-4-5-11(18-9)13-14(6-8-17-13)12(15)10-3-2-7-16-10/h2-5,7,13H,6,8H2,1H3/t13-/m0/s1
InChIKeyYNYULAKUGBWPBW-ZDUSSCGKSA-N
MW295.45 g/mol
LogP4.01
Rot. Bonds2

About [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 7347840) has the molecular formula C13H13NOS3 and a molecular weight of 295.45 g/mol. Its IUPAC name is [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
PubChem CID7347840
Molecular FormulaC13H13NOS3
Molecular Weight295.45 g/mol
Exact Mass295.02
IUPAC Name[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1ccc([C@@H]2SCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C13H13NOS3/c1-9-4-5-11(18-9)13-14(6-8-17-13)12(15)10-3-2-7-16-10/h2-5,7,13H,6,8H2,1H3/t13-/m0/s1
InChIKeyYNYULAKUGBWPBW-ZDUSSCGKSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 3630788
[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 42781134
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 4094359
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 99985881
1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 7495136
1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 4575525
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4112872
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
(2-propyl-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
CID 122140873
cyclopentyl-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7237681

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (CID 7347840) is [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is Cc1ccc([C@@H]2SCCN2C(=O)c2cccs2)s1.
What is the InChIKey of [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is YNYULAKUGBWPBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NOS3/c1-9-4-5-11(18-9)13-14(6-8-17-13)12(15)10-3-2-7-16-10/h2-5,7,13H,6,8H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 295.45 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 7347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).