5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C13H24N4OS — CID 106964745

IUPAC5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC2CCSCC2)o1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-10-4-6-19-7-5-10/h10,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyOBWSROUNHZWWFG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.51
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964745) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964745
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC2CCSCC2)o1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-10-4-6-19-7-5-10/h10,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyOBWSROUNHZWWFG-UHFFFAOYSA-N
XLogP2.51
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
2-N-(thian-4-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437312
2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 83135957
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106964745) is 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCC2CCSCC2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OBWSROUNHZWWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-10-4-6-19-7-5-10/h10,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).