N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C10H20N4OS — CID 106964866

IUPACN-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCSC(C)CNc1nnc(CNC(C)C)o1
InChIInChI=1S/C10H20N4OS/c1-7(2)11-6-9-13-14-10(15-9)12-5-8(3)16-4/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyHZEYECOONMFLKP-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.73
Rot. Bonds7

About N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964866) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964866
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC NameN-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCSC(C)CNc1nnc(CNC(C)C)o1
InChIInChI=1S/C10H20N4OS/c1-7(2)11-6-9-13-14-10(15-9)12-5-8(3)16-4/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyHZEYECOONMFLKP-UHFFFAOYSA-N
XLogP1.73
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959334
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-ethyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969289
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665
N-[(2-bromophenyl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971211
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969559
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
CID 106964050
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
N-(1-cyclopentylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961636

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106964866) is N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CSC(C)CNc1nnc(CNC(C)C)o1.
What is the InChIKey of N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HZEYECOONMFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-7(2)11-6-9-13-14-10(15-9)12-5-8(3)16-4/h7-8,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).