5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole

C11H18N2S — CID 20811489

IUPAC5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3
InChIKeyDKWXWQIDMVIITH-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.26
Rot. Bonds2

About 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole

5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole (PubChem CID 20811489) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole
PubChem CID20811489
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3
InChIKeyDKWXWQIDMVIITH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-1,3-thiazol-5-amine
CID 45121744
5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
5-(3-Fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571142
2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
2-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
CID 174585514
2-[3-(1,3-Thiazol-2-yl)piperidin-1-yl]ethanamine
CID 121669495
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126790277
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488110
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488111

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole (CID 20811489) is 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole?
The InChIKey is DKWXWQIDMVIITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole?
5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 20811489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).