N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C13H21N3OS2 — CID 83200662

IUPACN-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCCCNC1CSCC1c1nc(C2CCCS2)no1
InChIInChI=1S/C13H21N3OS2/c1-2-5-14-10-8-18-7-9(10)13-15-12(16-17-13)11-4-3-6-19-11/h9-11,14H,2-8H2,1H3
InChIKeyUKMANXATIFBTEF-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.84
Rot. Bonds5

About N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83200662) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83200662
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCCCNC1CSCC1c1nc(C2CCCS2)no1
InChIInChI=1S/C13H21N3OS2/c1-2-5-14-10-8-18-7-9(10)13-15-12(16-17-13)11-4-3-6-19-11/h9-11,14H,2-8H2,1H3
InChIKeyUKMANXATIFBTEF-UHFFFAOYSA-N
XLogP2.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201081
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80637975
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200418
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192283
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200903
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83201243

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83200662) is N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is CCCNC1CSCC1c1nc(C2CCCS2)no1.
What is the InChIKey of N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is UKMANXATIFBTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-2-5-14-10-8-18-7-9(10)13-15-12(16-17-13)11-4-3-6-19-11/h9-11,14H,2-8H2,1H3.
What are the key properties of N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 299.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83200662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).