2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid

C15H14N2O4S — CID 134093138

IUPAC2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)c1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C15H14N2O4S/c18-11(19)8-10(14(20)21)13-12(9-4-2-1-3-5-9)16-15-17(13)6-7-22-15/h1-5,10H,6-8H2,(H,18,19)(H,20,21)
InChIKeyRUNQZKNSCMKVAD-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.30
Rot. Bonds5

About 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid

2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid (PubChem CID 134093138) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid.

Molecular Properties

Compound Name2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid
PubChem CID134093138
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)c1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C15H14N2O4S/c18-11(19)8-10(14(20)21)13-12(9-4-2-1-3-5-9)16-15-17(13)6-7-22-15/h1-5,10H,6-8H2,(H,18,19)(H,20,21)
InChIKeyRUNQZKNSCMKVAD-UHFFFAOYSA-N
XLogP2.30
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid?
The IUPAC name of 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid (CID 134093138) is 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid.
What is the SMILES notation for 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid?
The canonical SMILES for 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid is O=C(O)CC(C(=O)O)c1c(-c2ccccc2)nc2n1CCS2.
What is the InChIKey of 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid?
The InChIKey is RUNQZKNSCMKVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-11(19)8-10(14(20)21)13-12(9-4-2-1-3-5-9)16-15-17(13)6-7-22-15/h1-5,10H,6-8H2,(H,18,19)(H,20,21).
What are the key properties of 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid?
2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid has a molecular weight of 318.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)butanedioic acid is sourced from PubChem (CID 134093138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).