[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

C17H19NOS2 — CID 42781134

IUPAC[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1ccc(C2SCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NOS2/c1-12(2)13-5-7-14(8-6-13)17-18(9-11-21-17)16(19)15-4-3-10-20-15/h3-8,10,12,17H,9,11H2,1-2H3
InChIKeyACCCRNOINKWWIG-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.76
Rot. Bonds3

About [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 42781134) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
PubChem CID42781134
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1ccc(C2SCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NOS2/c1-12(2)13-5-7-14(8-6-13)17-18(9-11-21-17)16(19)15-4-3-10-20-15/h3-8,10,12,17H,9,11H2,1-2H3
InChIKeyACCCRNOINKWWIG-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
[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-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
(2-propyl-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
CID 122140873
(3R)-3,5,5-trimethyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 816120

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone (CID 42781134) is [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is CC(C)c1ccc(C2SCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is ACCCRNOINKWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-12(2)13-5-7-14(8-6-13)17-18(9-11-21-17)16(19)15-4-3-10-20-15/h3-8,10,12,17H,9,11H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone?
[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 317.48 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42781134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).