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

C17H21FN4OS — CID 68862033

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3nccs3)CC2)nc1
InChIInChI=1S/C17H21FN4OS/c1-13-2-3-14(21-10-13)11-19-12-17(18)4-7-22(8-5-17)16(23)15-20-6-9-24-15/h2-3,6,9-10,19H,4-5,7-8,11-12H2,1H3
InChIKeyGAQLMQPGLQTBDZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.58
Rot. Bonds5

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

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 68862033) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID68862033
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3nccs3)CC2)nc1
InChIInChI=1S/C17H21FN4OS/c1-13-2-3-14(21-10-13)11-19-12-17(18)4-7-22(8-5-17)16(23)15-20-6-9-24-15/h2-3,6,9-10,19H,4-5,7-8,11-12H2,1H3
InChIKeyGAQLMQPGLQTBDZ-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1483697
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CID 1483698
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CID 25265257
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CID 42606103
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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 68862033) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3nccs3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is GAQLMQPGLQTBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-13-2-3-14(21-10-13)11-19-12-17(18)4-7-22(8-5-17)16(23)15-20-6-9-24-15/h2-3,6,9-10,19H,4-5,7-8,11-12H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 68862033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).