(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone

C10H14N2OS — CID 130899247

IUPAC(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone
SMILESCC1CCC(C(=O)c2ccsn2)CN1
InChIInChI=1S/C10H14N2OS/c1-7-2-3-8(6-11-7)10(13)9-4-5-14-12-9/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyICSLLAJRUOPFTD-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.71
Rot. Bonds2

About (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone

(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone (PubChem CID 130899247) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone
PubChem CID130899247
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone
SMILESCC1CCC(C(=O)c2ccsn2)CN1
InChIInChI=1S/C10H14N2OS/c1-7-2-3-8(6-11-7)10(13)9-4-5-14-12-9/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyICSLLAJRUOPFTD-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone?
The IUPAC name of (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone (CID 130899247) is (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone is CC1CCC(C(=O)c2ccsn2)CN1.
What is the InChIKey of (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone?
The InChIKey is ICSLLAJRUOPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-2-3-8(6-11-7)10(13)9-4-5-14-12-9/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone?
(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 130899247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).