4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

C10H17N3O2S — CID 106381837

IUPAC4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H17N3O2S/c11-3-8-1-2-9(15-8)5-12-4-7-6-16-10(14)13-7/h6,8-9,12H,1-5,11H2,(H,13,14)
InChIKeyOSMOWJYALPHCFR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.03
Rot. Bonds5

About 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381837) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381837
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H17N3O2S/c11-3-8-1-2-9(15-8)5-12-4-7-6-16-10(14)13-7/h6,8-9,12H,1-5,11H2,(H,13,14)
InChIKeyOSMOWJYALPHCFR-UHFFFAOYSA-N
XLogP0.03
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381837) is 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is NCC1CCC(CNCc2csc(=O)[nH]2)O1.
What is the InChIKey of 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OSMOWJYALPHCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c11-3-8-1-2-9(15-8)5-12-4-7-6-16-10(14)13-7/h6,8-9,12H,1-5,11H2,(H,13,14).
What are the key properties of 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.33 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).