5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole

C12H20N2S — CID 23571116

IUPAC5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC1CCN(c2cnc(C(C)C)s2)CC1
InChIInChI=1S/C12H20N2S/c1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14/h8-10H,4-7H2,1-3H3
InChIKeyQFJDNAQHGPXIIB-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.50
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole

5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 23571116) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID23571116
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC1CCN(c2cnc(C(C)C)s2)CC1
InChIInChI=1S/C12H20N2S/c1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14/h8-10H,4-7H2,1-3H3
InChIKeyQFJDNAQHGPXIIB-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole (CID 23571116) is 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole is CC1CCN(c2cnc(C(C)C)s2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is QFJDNAQHGPXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 23571116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).