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

C11H18N2O2S — CID 106380422

IUPAC4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C11H18N2O2S/c1-11(2)5-8(3-4-15-11)12-6-9-7-16-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyMNMJTHOPFDTCRH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.48
Rot. Bonds3

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

4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380422) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380422
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C11H18N2O2S/c1-11(2)5-8(3-4-15-11)12-6-9-7-16-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyMNMJTHOPFDTCRH-UHFFFAOYSA-N
XLogP1.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379837
4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380064
4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380087
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-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380527
4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380544
4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380855
4-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380977
4-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380991
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381072

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380422) is 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CC(NCc2csc(=O)[nH]2)CCO1.
What is the InChIKey of 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MNMJTHOPFDTCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2)5-8(3-4-15-11)12-6-9-7-16-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).