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

C7H9N5O2S — CID 106384435

IUPAC4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C7H9N5O2S/c8-1-5-11-12-6(14-5)9-2-4-3-15-7(13)10-4/h3H,1-2,8H2,(H,9,12)(H,10,13)
InChIKeyDZRMIXYPIKGGCP-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.11
Rot. Bonds4

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

4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384435) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384435
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C7H9N5O2S/c8-1-5-11-12-6(14-5)9-2-4-3-15-7(13)10-4/h3H,1-2,8H2,(H,9,12)(H,10,13)
InChIKeyDZRMIXYPIKGGCP-UHFFFAOYSA-N
XLogP-0.11
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384435) is 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is NCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DZRMIXYPIKGGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c8-1-5-11-12-6(14-5)9-2-4-3-15-7(13)10-4/h3H,1-2,8H2,(H,9,12)(H,10,13).
What are the key properties of 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).