N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide

C15H9ClF3N3OS — CID 15352761

IUPACN-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(Cl)cn2c1Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3OS/c16-9-6-7-11-20-12(21-14(23)15(17,18)19)13(22(11)8-9)24-10-4-2-1-3-5-10/h1-8H,(H,21,23)
InChIKeyWTVNNFCUWLYQOS-UHFFFAOYSA-N
MW371.77 g/mol
LogP4.64
Rot. Bonds3

About N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide

N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 15352761) has the molecular formula C15H9ClF3N3OS and a molecular weight of 371.77 g/mol. Its IUPAC name is N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID15352761
Molecular FormulaC15H9ClF3N3OS
Molecular Weight371.77 g/mol
Exact Mass371.01
IUPAC NameN-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(Cl)cn2c1Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3OS/c16-9-6-7-11-20-12(21-14(23)15(17,18)19)13(22(11)8-9)24-10-4-2-1-3-5-10/h1-8H,(H,21,23)
InChIKeyWTVNNFCUWLYQOS-UHFFFAOYSA-N
XLogP4.64
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide (CID 15352761) is N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nc2ccc(Cl)cn2c1Sc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is WTVNNFCUWLYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3OS/c16-9-6-7-11-20-12(21-14(23)15(17,18)19)13(22(11)8-9)24-10-4-2-1-3-5-10/h1-8H,(H,21,23).
What are the key properties of N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 371.77 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15352761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).