2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole

C13H22N2OS — CID 58293913

IUPAC2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC(OC(C)C)CC2)s1
InChIInChI=1S/C13H22N2OS/c1-10(2)16-12-4-6-15(7-5-12)9-13-8-14-11(3)17-13/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCNNQASDXGAOCDV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole

2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 58293913) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID58293913
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC(OC(C)C)CC2)s1
InChIInChI=1S/C13H22N2OS/c1-10(2)16-12-4-6-15(7-5-12)9-13-8-14-11(3)17-13/h8,10,12H,4-7,9H2,1-3H3
InChIKeyCNNQASDXGAOCDV-UHFFFAOYSA-N
XLogP2.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole (CID 58293913) is 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole is Cc1ncc(CN2CCC(OC(C)C)CC2)s1.
What is the InChIKey of 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CNNQASDXGAOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)16-12-4-6-15(7-5-12)9-13-8-14-11(3)17-13/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole?
2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 254.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58293913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).