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

C9H13N5O2S — CID 106384430

IUPAC4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)c1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C9H13N5O2S/c1-5(10-2)7-13-14-8(16-7)11-3-6-4-17-9(15)12-6/h4-5,10H,3H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyHUNCCYCMIKBHNH-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.71
Rot. Bonds5

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

4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384430) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384430
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)c1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C9H13N5O2S/c1-5(10-2)7-13-14-8(16-7)11-3-6-4-17-9(15)12-6/h4-5,10H,3H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyHUNCCYCMIKBHNH-UHFFFAOYSA-N
XLogP0.71
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384430) is 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CNC(C)c1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HUNCCYCMIKBHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-5(10-2)7-13-14-8(16-7)11-3-6-4-17-9(15)12-6/h4-5,10H,3H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-[1-(methylamino)ethyl]-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 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).