3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C14H13F3N4S — CID 163221579

IUPAC3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2nccn2C)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H13F3N4S/c1-3-22-13-11(12-18-6-7-20(12)2)19-10-5-4-9(8-21(10)13)14(15,16)17/h4-8H,3H2,1-2H3
InChIKeyMTAGCJNMFQOPFH-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.87
Rot. Bonds3

About 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 163221579) has the molecular formula C14H13F3N4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID163221579
Molecular FormulaC14H13F3N4S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC Name3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2nccn2C)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H13F3N4S/c1-3-22-13-11(12-18-6-7-20(12)2)19-10-5-4-9(8-21(10)13)14(15,16)17/h4-8H,3H2,1-2H3
InChIKeyMTAGCJNMFQOPFH-UHFFFAOYSA-N
XLogP3.87
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 163221579) is 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCSc1c(-c2nccn2C)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is MTAGCJNMFQOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4S/c1-3-22-13-11(12-18-6-7-20(12)2)19-10-5-4-9(8-21(10)13)14(15,16)17/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 326.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 163221579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).