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

C11H17N5O2S — CID 106384429

IUPAC4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)13-5-8-15-16-9(18-8)12-4-7-6-19-10(17)14-7/h6,13H,4-5H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyRRBGSCALVKGMAH-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.32
Rot. Bonds5

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

4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384429) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384429
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)13-5-8-15-16-9(18-8)12-4-7-6-19-10(17)14-7/h6,13H,4-5H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyRRBGSCALVKGMAH-UHFFFAOYSA-N
XLogP1.32
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384428
4-[[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384430
4-[[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384431
4-[[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384432
4-[[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384433
4-[[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384434
4-[[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384435
4-[[[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384436
4-[[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384437
5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961324
5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106961680
5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964863

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384429) is 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CC(C)(C)NCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RRBGSCALVKGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-11(2,3)13-5-8-15-16-9(18-8)12-4-7-6-19-10(17)14-7/h6,13H,4-5H2,1-3H3,(H,12,16)(H,14,17).
What are the key properties of 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 283.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).