(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C18H17FN2OS — CID 24618931

IUPAC(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1c(C(=O)n2cccc/c2=N\C(C)C)sc2cccc(F)c12
InChIInChI=1S/C18H17FN2OS/c1-11(2)20-15-9-4-5-10-21(15)18(22)17-12(3)16-13(19)7-6-8-14(16)23-17/h4-11H,1-3H3/b20-15+
InChIKeyILKTUEQBWXNZNB-HMMYKYKNSA-N
MW328.41 g/mol
LogP4.15
Rot. Bonds2

About (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 24618931) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID24618931
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1c(C(=O)n2cccc/c2=N\C(C)C)sc2cccc(F)c12
InChIInChI=1S/C18H17FN2OS/c1-11(2)20-15-9-4-5-10-21(15)18(22)17-12(3)16-13(19)7-6-8-14(16)23-17/h4-11H,1-3H3/b20-15+
InChIKeyILKTUEQBWXNZNB-HMMYKYKNSA-N
XLogP4.15
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 24618931) is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is Cc1c(C(=O)n2cccc/c2=N\C(C)C)sc2cccc(F)c12.
What is the InChIKey of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is ILKTUEQBWXNZNB-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-11(2)20-15-9-4-5-10-21(15)18(22)17-12(3)16-13(19)7-6-8-14(16)23-17/h4-11H,1-3H3/b20-15+.
What are the key properties of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 328.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 24618931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).