(6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone

C10H14N2OS — CID 164647409

IUPAC(6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone
SMILESCC1CCC(C(=O)c2cnsc2)CN1
InChIInChI=1S/C10H14N2OS/c1-7-2-3-8(4-11-7)10(13)9-5-12-14-6-9/h5-8,11H,2-4H2,1H3
InChIKeyAQKHALSNQHZSCH-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.71
Rot. Bonds2

About (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone

(6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone (PubChem CID 164647409) 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-4-yl)methanone.

Molecular Properties

Compound Name(6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone
PubChem CID164647409
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone
SMILESCC1CCC(C(=O)c2cnsc2)CN1
InChIInChI=1S/C10H14N2OS/c1-7-2-3-8(4-11-7)10(13)9-5-12-14-6-9/h5-8,11H,2-4H2,1H3
InChIKeyAQKHALSNQHZSCH-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-4-yl)methanone?
The IUPAC name of (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone (CID 164647409) is (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone is CC1CCC(C(=O)c2cnsc2)CN1.
What is the InChIKey of (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is AQKHALSNQHZSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-2-3-8(4-11-7)10(13)9-5-12-14-6-9/h5-8,11H,2-4H2,1H3.
What are the key properties of (6-methylpiperidin-3-yl)-(1,2-thiazol-4-yl)methanone?
(6-methylpiperidin-3-yl)-(1,2-thiazol-4-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-4-yl)methanone is sourced from PubChem (CID 164647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).