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

C11H19N3O2S — CID 114181230

IUPAC4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CC1COCCN1)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-8(4-9-6-16-3-2-12-9)13-5-10-7-17-11(15)14-10/h7-9,12-13H,2-6H2,1H3,(H,14,15)
InChIKeyXQVMKBFLIXRYIV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.29
Rot. Bonds5

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

4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181230) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID114181230
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CC1COCCN1)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-8(4-9-6-16-3-2-12-9)13-5-10-7-17-11(15)14-10/h7-9,12-13H,2-6H2,1H3,(H,14,15)
InChIKeyXQVMKBFLIXRYIV-UHFFFAOYSA-N
XLogP0.29
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine
CID 113461976
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
3-(2-methylpropyl)morpholine
CID 20811826
3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
CID 106284470
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 106124715
N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
CID 113461930
1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173708
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867

Frequently Asked Questions

What is the IUPAC name of 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 114181230) is 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(CC1COCCN1)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XQVMKBFLIXRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(4-9-6-16-3-2-12-9)13-5-10-7-17-11(15)14-10/h7-9,12-13H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).