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

C10H17N3O2S — CID 106381791

IUPAC4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)COCC1N
InChIInChI=1S/C10H17N3O2S/c1-10(6-15-3-8(10)11)5-12-2-7-4-16-9(14)13-7/h4,8,12H,2-3,5-6,11H2,1H3,(H,13,14)
InChIKeyNNYHNTQGIYLLCD-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.11
Rot. Bonds4

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

4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381791) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381791
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)COCC1N
InChIInChI=1S/C10H17N3O2S/c1-10(6-15-3-8(10)11)5-12-2-7-4-16-9(14)13-7/h4,8,12H,2-3,5-6,11H2,1H3,(H,13,14)
InChIKeyNNYHNTQGIYLLCD-UHFFFAOYSA-N
XLogP-0.11
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.11
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-[(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-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381204
4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381722
4-[[(2-amino-4-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381753
4-[[[4-(ethylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381758
4-[[[4-(methylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381778
4-[[(3-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381865
4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381899

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381791) is 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(CNCc2csc(=O)[nH]2)COCC1N.
What is the InChIKey of 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NNYHNTQGIYLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(6-15-3-8(10)11)5-12-2-7-4-16-9(14)13-7/h4,8,12H,2-3,5-6,11H2,1H3,(H,13,14).
What are the key properties of 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).