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

C11H19N3O2S — CID 106381764

IUPAC4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1(CNCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H19N3O2S/c12-7-11(1-3-16-4-2-11)8-13-5-9-6-17-10(15)14-9/h6,13H,1-5,7-8,12H2,(H,14,15)
InChIKeyHDVSDOPHIZNWQE-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.28
Rot. Bonds5

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

4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381764) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381764
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1(CNCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H19N3O2S/c12-7-11(1-3-16-4-2-11)8-13-5-9-6-17-10(15)14-9/h6,13H,1-5,7-8,12H2,(H,14,15)
InChIKeyHDVSDOPHIZNWQE-UHFFFAOYSA-N
XLogP0.28
TPSA80.14 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 ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379701
4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380087
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106381330
4-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106381464
4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381776
4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381904
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181230

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381764) is 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is NCC1(CNCc2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HDVSDOPHIZNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-7-11(1-3-16-4-2-11)8-13-5-9-6-17-10(15)14-9/h6,13H,1-5,7-8,12H2,(H,14,15).
What are the key properties of 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).