4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

C8H11N5O2S — CID 106384436

IUPAC4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C8H11N5O2S/c1-9-3-6-12-13-7(15-6)10-2-5-4-16-8(14)11-5/h4,9H,2-3H2,1H3,(H,10,13)(H,11,14)
InChIKeyGPVOGRVNAFMJNA-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.15
Rot. Bonds5

About 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384436) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384436
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C8H11N5O2S/c1-9-3-6-12-13-7(15-6)10-2-5-4-16-8(14)11-5/h4,9H,2-3H2,1H3,(H,10,13)(H,11,14)
InChIKeyGPVOGRVNAFMJNA-UHFFFAOYSA-N
XLogP0.15
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384436) is 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CNCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GPVOGRVNAFMJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-9-3-6-12-13-7(15-6)10-2-5-4-16-8(14)11-5/h4,9H,2-3H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).