[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H18N4OS — CID 110257064

IUPAC[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cccc(C2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C15H18N4OS/c1-16-14-6-2-5-12(18-14)11-4-3-7-19(8-11)15(20)13-9-21-10-17-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyXEVXUOREZPZRNV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.60
Rot. Bonds3

About [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110257064) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110257064
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cccc(C2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C15H18N4OS/c1-16-14-6-2-5-12(18-14)11-4-3-7-19(8-11)15(20)13-9-21-10-17-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyXEVXUOREZPZRNV-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110257064) is [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CNc1cccc(C2CCCN(C(=O)c3cscn3)C2)n1.
What is the InChIKey of [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XEVXUOREZPZRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-16-14-6-2-5-12(18-14)11-4-3-7-19(8-11)15(20)13-9-21-10-17-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,16,18).
What are the key properties of [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110257064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).