4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

C12H21N3O2S — CID 106381899

IUPAC4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCNC1COCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3O2S/c1-2-3-14-11-7-17-6-9(11)4-13-5-10-8-18-12(16)15-10/h8-9,11,13-14H,2-7H2,1H3,(H,15,16)
InChIKeyAOSFLHPCSHCNEK-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.54
Rot. Bonds7

About 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381899) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381899
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCNC1COCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3O2S/c1-2-3-14-11-7-17-6-9(11)4-13-5-10-8-18-12(16)15-10/h8-9,11,13-14H,2-7H2,1H3,(H,15,16)
InChIKeyAOSFLHPCSHCNEK-UHFFFAOYSA-N
XLogP0.54
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379701
4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379936
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
4-[[(2-methyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380115
4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380212
4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380225
4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380747
4-[[2-(3-methylbutoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380832
4-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381257
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381337
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 106381353

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381899) is 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is CCCNC1COCC1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is AOSFLHPCSHCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-14-11-7-17-6-9(11)4-13-5-10-8-18-12(16)15-10/h8-9,11,13-14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 271.39 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).