2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

C10H16N2S — CID 58990395

IUPAC2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C10H16N2S/c1-9-2-5-12(6-3-9)8-10-11-4-7-13-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyIRULUBVXORSSBN-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.38
Rot. Bonds2

About 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 58990395) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID58990395
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C10H16N2S/c1-9-2-5-12(6-3-9)8-10-11-4-7-13-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyIRULUBVXORSSBN-UHFFFAOYSA-N
XLogP2.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 58990395) is 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is IRULUBVXORSSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-9-2-5-12(6-3-9)8-10-11-4-7-13-10/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58990395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).