2-indolizin-3-yl-4,5-dihydro-1,3-thiazole

C11H10N2S — CID 174826542

IUPAC2-indolizin-3-yl-4,5-dihydro-1,3-thiazole
SMILESc1ccn2c(C3=NCCS3)ccc2c1
InChIInChI=1S/C11H10N2S/c1-2-7-13-9(3-1)4-5-10(13)11-12-6-8-14-11/h1-5,7H,6,8H2
InChIKeyPHECKHKBCWUXRS-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.43
Rot. Bonds1

About 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole

2-indolizin-3-yl-4,5-dihydro-1,3-thiazole (PubChem CID 174826542) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-indolizin-3-yl-4,5-dihydro-1,3-thiazole
PubChem CID174826542
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-indolizin-3-yl-4,5-dihydro-1,3-thiazole
SMILESc1ccn2c(C3=NCCS3)ccc2c1
InChIInChI=1S/C11H10N2S/c1-2-7-13-9(3-1)4-5-10(13)11-12-6-8-14-11/h1-5,7H,6,8H2
InChIKeyPHECKHKBCWUXRS-UHFFFAOYSA-N
XLogP2.43
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole (CID 174826542) is 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole is c1ccn2c(C3=NCCS3)ccc2c1.
What is the InChIKey of 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is PHECKHKBCWUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-7-13-9(3-1)4-5-10(13)11-12-6-8-14-11/h1-5,7H,6,8H2.
What are the key properties of 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole?
2-indolizin-3-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 202.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolizin-3-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174826542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).