2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole

C17H16N2O3S3 — CID 91624889

IUPAC2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCSC3c3ccsc3)cc2)co1
InChIInChI=1S/C17H16N2O3S3/c1-12-18-16(10-22-12)13-2-4-15(5-3-13)25(20,21)19-7-9-24-17(19)14-6-8-23-11-14/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyXLKDGDIRIWXZDA-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.15
Rot. Bonds4

About 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole

2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole (PubChem CID 91624889) has the molecular formula C17H16N2O3S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole
PubChem CID91624889
Molecular FormulaC17H16N2O3S3
Molecular Weight392.53 g/mol
Exact Mass392.03
IUPAC Name2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCSC3c3ccsc3)cc2)co1
InChIInChI=1S/C17H16N2O3S3/c1-12-18-16(10-22-12)13-2-4-15(5-3-13)25(20,21)19-7-9-24-17(19)14-6-8-23-11-14/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyXLKDGDIRIWXZDA-UHFFFAOYSA-N
XLogP4.15
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole (CID 91624889) is 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCSC3c3ccsc3)cc2)co1.
What is the InChIKey of 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole?
The InChIKey is XLKDGDIRIWXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S3/c1-12-18-16(10-22-12)13-2-4-15(5-3-13)25(20,21)19-7-9-24-17(19)14-6-8-23-11-14/h2-6,8,10-11,17H,7,9H2,1H3.
What are the key properties of 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole?
2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole has a molecular weight of 392.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazolidin-3-yl)sulfonyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 91624889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).