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

C8H11N5O2S — CID 106384434

IUPAC4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(N)c1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C8H11N5O2S/c1-4(9)6-12-13-7(15-6)10-2-5-3-16-8(14)11-5/h3-4H,2,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyZEQHGOCVRUMQMX-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.45
Rot. Bonds4

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

4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384434) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384434
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(N)c1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C8H11N5O2S/c1-4(9)6-12-13-7(15-6)10-2-5-3-16-8(14)11-5/h3-4H,2,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyZEQHGOCVRUMQMX-UHFFFAOYSA-N
XLogP0.45
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384434) is 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CC(N)c1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZEQHGOCVRUMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-4(9)6-12-13-7(15-6)10-2-5-3-16-8(14)11-5/h3-4H,2,9H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(1-aminoethyl)-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 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).