4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

C12H20N2O2S — CID 114181320

IUPAC4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CC(NCc2csc(=O)[nH]2)C(C)(C)O1
InChIInChI=1S/C12H20N2O2S/c1-11(2)5-9(12(3,4)16-11)13-6-8-7-17-10(15)14-8/h7,9,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyPDPZRPBGFYWGJK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.87
Rot. Bonds3

About 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181320) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181320
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CC(NCc2csc(=O)[nH]2)C(C)(C)O1
InChIInChI=1S/C12H20N2O2S/c1-11(2)5-9(12(3,4)16-11)13-6-8-7-17-10(15)14-8/h7,9,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyPDPZRPBGFYWGJK-UHFFFAOYSA-N
XLogP1.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380064
4-[[(2-methyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380115
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380994
4-[[[4-(ethylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381758
4-[[[4-(methylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381778
4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381899

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181320) is 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CC(NCc2csc(=O)[nH]2)C(C)(C)O1.
What is the InChIKey of 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PDPZRPBGFYWGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-11(2)5-9(12(3,4)16-11)13-6-8-7-17-10(15)14-8/h7,9,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).