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

C10H17N3O2S — CID 106381057

IUPAC4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCN2CCOCC2)cs1
InChIInChI=1S/C10H17N3O2S/c14-10-12-9(8-16-10)7-11-1-2-13-3-5-15-6-4-13/h8,11H,1-7H2,(H,12,14)
InChIKeyGPFVOZYMCSCEKU-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.14
Rot. Bonds5

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

4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381057) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381057
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCN2CCOCC2)cs1
InChIInChI=1S/C10H17N3O2S/c14-10-12-9(8-16-10)7-11-1-2-13-3-5-15-6-4-13/h8,11H,1-7H2,(H,12,14)
InChIKeyGPFVOZYMCSCEKU-UHFFFAOYSA-N
XLogP-0.14
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
CID 59303713
CID 59303713
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
CID 106380427
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134

Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381057) is 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCN2CCOCC2)cs1.
What is the InChIKey of 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GPFVOZYMCSCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-10-12-9(8-16-10)7-11-1-2-13-3-5-15-6-4-13/h8,11H,1-7H2,(H,12,14).
What are the key properties of 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.33 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).