5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C15H19F2N5S — CID 139500139

IUPAC5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(F)(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H19F2N5S/c1-18-14-21-8-12(23-14)9-22-4-2-3-15(17,10-22)5-13-19-6-11(16)7-20-13/h6-8H,2-5,9-10H2,1H3,(H,18,21)
InChIKeyGCUFDANFRWRJSM-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.66
Rot. Bonds5

About 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 139500139) has the molecular formula C15H19F2N5S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID139500139
Molecular FormulaC15H19F2N5S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(F)(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H19F2N5S/c1-18-14-21-8-12(23-14)9-22-4-2-3-15(17,10-22)5-13-19-6-11(16)7-20-13/h6-8H,2-5,9-10H2,1H3,(H,18,21)
InChIKeyGCUFDANFRWRJSM-UHFFFAOYSA-N
XLogP2.66
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

(r)-N-(5-((3-((5-fluoropyrimidin-2-yl)methyl)piperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 155776233
2-[4-[1-(5-Fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 25014210
2-(4-Fluoro-1-propan-2-ylpiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 57685903
2-(4-Fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 58142803
2-(4-Fluoro-4-propan-2-ylpiperidin-1-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 68189815
2-(4-Fluoro-4-methylpiperidin-1-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 68190609
2-(4-Fluoro-1-methylpiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 70794420
[4-Fluoro-1-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]methanethiol
CID 123911677
2-(4-Fluoro-4-undecan-6-ylpiperidin-1-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 135229353
N-[5-[[3-fluoro-5-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491013
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491052
N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491082

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 139500139) is 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CN2CCCC(F)(Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GCUFDANFRWRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5S/c1-18-14-21-8-12(23-14)9-22-4-2-3-15(17,10-22)5-13-19-6-11(16)7-20-13/h6-8H,2-5,9-10H2,1H3,(H,18,21).
What are the key properties of 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 339.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139500139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).