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

C12H20N2O2S — CID 106380527

IUPAC4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C12H20N2O2S/c1-2-3-11-6-9(4-5-16-11)13-7-10-8-17-12(15)14-10/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyPUUCDLZMHIEPKG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.87
Rot. Bonds5

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

4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380527) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380527
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C12H20N2O2S/c1-2-3-11-6-9(4-5-16-11)13-7-10-8-17-12(15)14-10/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyPUUCDLZMHIEPKG-UHFFFAOYSA-N
XLogP1.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379702
4-[[(2-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379723
4-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379837
4-[[(3-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379868
4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380092
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380437
4-[[(4-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380520
4-[[(2-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380544
4-[[2-(oxolan-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380854

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380527) is 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCCC1CC(NCc2csc(=O)[nH]2)CCO1.
What is the InChIKey of 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PUUCDLZMHIEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-3-11-6-9(4-5-16-11)13-7-10-8-17-12(15)14-10/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).