5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole

C14H22N2OS — CID 124970776

IUPAC5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN([C@@H]3CCOC3)CC2)s1
InChIInChI=1S/C14H22N2OS/c1-11-9-15-13(18-11)14(2)4-6-16(7-5-14)12-3-8-17-10-12/h9,12H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyJSKHYAQRKPSUOE-GFCCVEGCSA-N
MW266.41 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole

5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole (PubChem CID 124970776) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
PubChem CID124970776
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN([C@@H]3CCOC3)CC2)s1
InChIInChI=1S/C14H22N2OS/c1-11-9-15-13(18-11)14(2)4-6-16(7-5-14)12-3-8-17-10-12/h9,12H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyJSKHYAQRKPSUOE-GFCCVEGCSA-N
XLogP2.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole (CID 124970776) is 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole is Cc1cnc(C2(C)CCN([C@@H]3CCOC3)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is JSKHYAQRKPSUOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-9-15-13(18-11)14(2)4-6-16(7-5-14)12-3-8-17-10-12/h9,12H,3-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 124970776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).