3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline

C18H19F2N3OS — CID 170616408

IUPAC3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
SMILESCOc1cc2ncc(-c3ccc(F)c(N)c3F)n2cc1SC(C)(C)C
InChIInChI=1S/C18H19F2N3OS/c1-18(2,3)25-14-9-23-12(8-22-15(23)7-13(14)24-4)10-5-6-11(19)17(21)16(10)20/h5-9H,21H2,1-4H3
InChIKeyLEVHVCKMWXZMAR-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.76
Rot. Bonds3

About 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline (PubChem CID 170616408) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline.

Molecular Properties

Compound Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
PubChem CID170616408
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
SMILESCOc1cc2ncc(-c3ccc(F)c(N)c3F)n2cc1SC(C)(C)C
InChIInChI=1S/C18H19F2N3OS/c1-18(2,3)25-14-9-23-12(8-22-15(23)7-13(14)24-4)10-5-6-11(19)17(21)16(10)20/h5-9H,21H2,1-4H3
InChIKeyLEVHVCKMWXZMAR-UHFFFAOYSA-N
XLogP4.76
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline?
The IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline (CID 170616408) is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline.
What is the SMILES notation for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline?
The canonical SMILES for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline is COc1cc2ncc(-c3ccc(F)c(N)c3F)n2cc1SC(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline?
The InChIKey is LEVHVCKMWXZMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c1-18(2,3)25-14-9-23-12(8-22-15(23)7-13(14)24-4)10-5-6-11(19)17(21)16(10)20/h5-9H,21H2,1-4H3.
What are the key properties of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline?
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline has a molecular weight of 363.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline is sourced from PubChem (CID 170616408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).