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

C8H14N2O2S — CID 106380743

IUPAC4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-12-4-2-3-9-5-7-6-13-8(11)10-7/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyZZUGBCLVZZVOCR-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.56
Rot. Bonds6

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

4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380743) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380743
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-12-4-2-3-9-5-7-6-13-8(11)10-7/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyZZUGBCLVZZVOCR-UHFFFAOYSA-N
XLogP0.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380970
4-(ethylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463363
4-(propylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463456
4-[(butan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113137
4-(1-amino-2-methoxyethyl)-3H-1,3-thiazol-2-one
CID 103113151
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113162
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
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-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380743) is 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one is COCCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZZUGBCLVZZVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-12-4-2-3-9-5-7-6-13-8(11)10-7/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).