5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H14N2O3S2 — CID 14301815

IUPAC5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4s3)cc2)S1
InChIInChI=1S/C18H14N2O3S2/c21-17-15(25-18(22)20-17)9-11-5-7-12(8-6-11)23-10-16-19-13-3-1-2-4-14(13)24-16/h1-8,15H,9-10H2,(H,20,21,22)
InChIKeyJECICJBEODLEAY-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.77
Rot. Bonds5

About 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14301815) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14301815
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4s3)cc2)S1
InChIInChI=1S/C18H14N2O3S2/c21-17-15(25-18(22)20-17)9-11-5-7-12(8-6-11)23-10-16-19-13-3-1-2-4-14(13)24-16/h1-8,15H,9-10H2,(H,20,21,22)
InChIKeyJECICJBEODLEAY-UHFFFAOYSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
(5S)-5-[[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 136811211
5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141191871
5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 127027660
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469317
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
CID 139801837
(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 144721168
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
5-[[4-[(1-methyl-6-naphthalen-2-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 150398739

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14301815) is 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4s3)cc2)S1.
What is the InChIKey of 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is JECICJBEODLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-17-15(25-18(22)20-17)9-11-5-7-12(8-6-11)23-10-16-19-13-3-1-2-4-14(13)24-16/h1-8,15H,9-10H2,(H,20,21,22).
What are the key properties of 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 370.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14301815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).