4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one

C8H14N2O2S — CID 106381135

IUPAC4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(12-2)3-9-4-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyCJNIYNCENGQVRM-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.56
Rot. Bonds5

About 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381135) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381135
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(12-2)3-9-4-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyCJNIYNCENGQVRM-UHFFFAOYSA-N
XLogP0.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380681
4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381127
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775072
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyacetamide
CID 103862845
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379763
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379865
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381135) is 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one is COC(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CJNIYNCENGQVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(12-2)3-9-4-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).