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

C12H20N2O2S — CID 106380329

IUPAC4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C12H20N2O2S/c1-8(2)11-5-9(3-4-16-11)13-6-10-7-17-12(15)14-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMXRRSKSCWXYNGT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds4

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

4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380329) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380329
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C12H20N2O2S/c1-8(2)11-5-9(3-4-16-11)13-6-10-7-17-12(15)14-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMXRRSKSCWXYNGT-UHFFFAOYSA-N
XLogP1.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380119
4-[[(4-ethylcycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181296
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380338
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
2-propan-2-yl-N-(thiolan-2-ylmethyl)oxan-4-amine
CID 80584057
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
CID 80526351
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258
4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380327

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380329) is 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)C1CC(NCc2csc(=O)[nH]2)CCO1.
What is the InChIKey of 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MXRRSKSCWXYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)11-5-9(3-4-16-11)13-6-10-7-17-12(15)14-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).