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

C9H13N5O2S — CID 106384437

IUPAC4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C9H13N5O2S/c1-2-10-4-7-13-14-8(16-7)11-3-6-5-17-9(15)12-6/h5,10H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyAWLWATJHINVIFH-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.54
Rot. Bonds6

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

4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384437) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384437
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C9H13N5O2S/c1-2-10-4-7-13-14-8(16-7)11-3-6-5-17-9(15)12-6/h5,10H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyAWLWATJHINVIFH-UHFFFAOYSA-N
XLogP0.54
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384437) is 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CCNCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is AWLWATJHINVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-2-10-4-7-13-14-8(16-7)11-3-6-5-17-9(15)12-6/h5,10H,2-4H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.30 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).