5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole

C13H11N3S — CID 3822673

IUPAC5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(-c3cnc4n3CCS4)c[nH]c2c1
InChIInChI=1S/C13H11N3S/c1-2-4-11-9(3-1)10(7-14-11)12-8-15-13-16(12)5-6-17-13/h1-4,7-8,14H,5-6H2
InChIKeyXAOJXZQLPGGAKP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.14
Rot. Bonds1

About 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole

5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 3822673) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID3822673
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(-c3cnc4n3CCS4)c[nH]c2c1
InChIInChI=1S/C13H11N3S/c1-2-4-11-9(3-1)10(7-14-11)12-8-15-13-16(12)5-6-17-13/h1-4,7-8,14H,5-6H2
InChIKeyXAOJXZQLPGGAKP-UHFFFAOYSA-N
XLogP3.14
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole (CID 3822673) is 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole is c1ccc2c(-c3cnc4n3CCS4)c[nH]c2c1.
What is the InChIKey of 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XAOJXZQLPGGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-4-11-9(3-1)10(7-14-11)12-8-15-13-16(12)5-6-17-13/h1-4,7-8,14H,5-6H2.
What are the key properties of 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3822673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).