methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

C17H21FN4O2S — CID 155777073

IUPACmethyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1
InChIInChI=1S/C17H21FN4O2S/c1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16/h3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyZWLGPVSKKZKDGK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.89
Rot. Bonds5

About methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (PubChem CID 155777073) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
PubChem CID155777073
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Namemethyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1
InChIInChI=1S/C17H21FN4O2S/c1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16/h3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22)
InChIKeyZWLGPVSKKZKDGK-UHFFFAOYSA-N
XLogP2.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (CID 155777073) is methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.
What is the InChIKey of methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?
The InChIKey is ZWLGPVSKKZKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16/h3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?
methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 155777073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).