[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone

C22H25FN4OS2 — CID 42606220

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4csc(C)n4)s3)CC2)nc1
InChIInChI=1S/C22H25FN4OS2/c1-15-3-4-17(25-11-15)12-24-14-22(23)7-9-27(10-8-22)21(28)20-6-5-19(30-20)18-13-29-16(2)26-18/h3-6,11,13,24H,7-10,12,14H2,1-2H3
InChIKeyDRXUYHDTHVXOPG-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.62
Rot. Bonds6

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone (PubChem CID 42606220) has the molecular formula C22H25FN4OS2 and a molecular weight of 444.60 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone
PubChem CID42606220
Molecular FormulaC22H25FN4OS2
Molecular Weight444.60 g/mol
Exact Mass444.15
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4csc(C)n4)s3)CC2)nc1
InChIInChI=1S/C22H25FN4OS2/c1-15-3-4-17(25-11-15)12-24-14-22(23)7-9-27(10-8-22)21(28)20-6-5-19(30-20)18-13-29-16(2)26-18/h3-6,11,13,24H,7-10,12,14H2,1-2H3
InChIKeyDRXUYHDTHVXOPG-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone (CID 42606220) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4csc(C)n4)s3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone?
The InChIKey is DRXUYHDTHVXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS2/c1-15-3-4-17(25-11-15)12-24-14-22(23)7-9-27(10-8-22)21(28)20-6-5-19(30-20)18-13-29-16(2)26-18/h3-6,11,13,24H,7-10,12,14H2,1-2H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone has a molecular weight of 444.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 42606220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).