5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile

C19H16N4S — CID 166958634

IUPAC5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile
SMILESCC(C)(C)Sc1ccncc1-c1ccc(C#N)c2cc(C#N)cn12
InChIInChI=1S/C19H16N4S/c1-19(2,3)24-18-6-7-22-11-15(18)16-5-4-14(10-21)17-8-13(9-20)12-23(16)17/h4-8,11-12H,1-3H3
InChIKeyFLSLVYQFDVNNJM-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.64
Rot. Bonds2

About 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile

5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile (PubChem CID 166958634) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile.

Molecular Properties

Compound Name5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile
PubChem CID166958634
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile
SMILESCC(C)(C)Sc1ccncc1-c1ccc(C#N)c2cc(C#N)cn12
InChIInChI=1S/C19H16N4S/c1-19(2,3)24-18-6-7-22-11-15(18)16-5-4-14(10-21)17-8-13(9-20)12-23(16)17/h4-8,11-12H,1-3H3
InChIKeyFLSLVYQFDVNNJM-UHFFFAOYSA-N
XLogP4.64
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile?
The IUPAC name of 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile (CID 166958634) is 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile.
What is the SMILES notation for 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile?
The canonical SMILES for 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile is CC(C)(C)Sc1ccncc1-c1ccc(C#N)c2cc(C#N)cn12.
What is the InChIKey of 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile?
The InChIKey is FLSLVYQFDVNNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-19(2,3)24-18-6-7-22-11-15(18)16-5-4-14(10-21)17-8-13(9-20)12-23(16)17/h4-8,11-12H,1-3H3.
What are the key properties of 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile?
5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile has a molecular weight of 332.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile is sourced from PubChem (CID 166958634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).