[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C16H20N4O2S — CID 70770532

IUPAC[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(OCc3ccccn3)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-17-16-19-14(11-23-16)15(21)20-8-4-6-13(9-20)22-10-12-5-2-3-7-18-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,17,19)
InChIKeyYMHGXYKRJJIUEU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.40
Rot. Bonds5

About [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70770532) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70770532
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(OCc3ccccn3)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-17-16-19-14(11-23-16)15(21)20-8-4-6-13(9-20)22-10-12-5-2-3-7-18-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,17,19)
InChIKeyYMHGXYKRJJIUEU-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 177213914
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CID 177213980
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CID 177213992
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CID 177214034

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 70770532) is [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is CNc1nc(C(=O)N2CCCC(OCc3ccccn3)C2)cs1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is YMHGXYKRJJIUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-17-16-19-14(11-23-16)15(21)20-8-4-6-13(9-20)22-10-12-5-2-3-7-18-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,17,19).
What are the key properties of [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70770532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).