5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C9H16N4OS — CID 106964738

IUPAC5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCC2CCSCC2)o1
InChIInChI=1S/C9H16N4OS/c10-5-8-12-13-9(14-8)11-6-7-1-3-15-4-2-7/h7H,1-6,10H2,(H,11,13)
InChIKeyNBKVCQSGOHMTLO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.08
Rot. Bonds4

About 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964738) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964738
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCC2CCSCC2)o1
InChIInChI=1S/C9H16N4OS/c10-5-8-12-13-9(14-8)11-6-7-1-3-15-4-2-7/h7H,1-6,10H2,(H,11,13)
InChIKeyNBKVCQSGOHMTLO-UHFFFAOYSA-N
XLogP1.08
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(thian-4-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437312
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 137340686
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
CID 130948207
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
5-(2-chloroethyl)-N-(thian-4-yl)-1,3,4-oxadiazol-2-amine
CID 106958675

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106964738) is 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine is NCc1nnc(NCC2CCSCC2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NBKVCQSGOHMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c10-5-8-12-13-9(14-8)11-6-7-1-3-15-4-2-7/h7H,1-6,10H2,(H,11,13).
What are the key properties of 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).