2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole

C11H18N2S — CID 20782489

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCC(C)C1CCN(c2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9(2)10-3-6-13(7-4-10)11-12-5-8-14-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyDVJFLVLQEOTMOZ-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole

2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 20782489) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID20782489
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCC(C)C1CCN(c2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9(2)10-3-6-13(7-4-10)11-12-5-8-14-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyDVJFLVLQEOTMOZ-UHFFFAOYSA-N
XLogP3.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole (CID 20782489) is 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole is CC(C)C1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is DVJFLVLQEOTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)10-3-6-13(7-4-10)11-12-5-8-14-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole?
2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 20782489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).