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

C10H15N5O2S — CID 106384431

IUPAC4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C10H15N5O2S/c1-2-3-11-5-8-14-15-9(17-8)12-4-7-6-18-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyNWHICUNCKQXBMW-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.93
Rot. Bonds7

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

4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384431) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384431
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C10H15N5O2S/c1-2-3-11-5-8-14-15-9(17-8)12-4-7-6-18-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyNWHICUNCKQXBMW-UHFFFAOYSA-N
XLogP0.93
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[[5-(propylaminomethyl)-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-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384431) is 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CCCNCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NWHICUNCKQXBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-2-3-11-5-8-14-15-9(17-8)12-4-7-6-18-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 269.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).