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

C13H20N2OS — CID 124965228

IUPAC2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H20N2OS/c1-13(12-14-5-9-17-12)3-6-15(7-4-13)11-2-8-16-10-11/h5,9,11H,2-4,6-8,10H2,1H3/t11-/m0/s1
InChIKeyIDHBCNUNTCOBCA-NSHDSACASA-N
MW252.38 g/mol
LogP2.29
Rot. Bonds2

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

2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole (PubChem CID 124965228) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
PubChem CID124965228
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H20N2OS/c1-13(12-14-5-9-17-12)3-6-15(7-4-13)11-2-8-16-10-11/h5,9,11H,2-4,6-8,10H2,1H3/t11-/m0/s1
InChIKeyIDHBCNUNTCOBCA-NSHDSACASA-N
XLogP2.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole (CID 124965228) is 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole is CC1(c2nccs2)CCN([C@H]2CCOC2)CC1.
What is the InChIKey of 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is IDHBCNUNTCOBCA-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(12-14-5-9-17-12)3-6-15(7-4-13)11-2-8-16-10-11/h5,9,11H,2-4,6-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole?
2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 252.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 124965228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).