2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole

C11H11N3S2 — CID 722328

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1ccn2cc(CSC3=NCCS3)nc2c1
InChIInChI=1S/C11H11N3S2/c1-2-5-14-7-9(13-10(14)3-1)8-16-11-12-4-6-15-11/h1-3,5,7H,4,6,8H2
InChIKeyWXAQRAKHLPNLDV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds2

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 722328) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID722328
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1ccn2cc(CSC3=NCCS3)nc2c1
InChIInChI=1S/C11H11N3S2/c1-2-5-14-7-9(13-10(14)3-1)8-16-11-12-4-6-15-11/h1-3,5,7H,4,6,8H2
InChIKeyWXAQRAKHLPNLDV-UHFFFAOYSA-N
XLogP2.67
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 722328) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole is c1ccn2cc(CSC3=NCCS3)nc2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is WXAQRAKHLPNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-2-5-14-7-9(13-10(14)3-1)8-16-11-12-4-6-15-11/h1-3,5,7H,4,6,8H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 249.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 722328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).