4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

C14H18N4OS — CID 83193430

IUPAC4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCCc1cccnc1-c1noc(C2CSCC2NC)n1
InChIInChI=1S/C14H18N4OS/c1-3-9-5-4-6-16-12(9)13-17-14(19-18-13)10-7-20-8-11(10)15-2/h4-6,10-11,15H,3,7-8H2,1-2H3
InChIKeyUYTQSWZPTPVBSK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.11
Rot. Bonds4

About 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (PubChem CID 83193430) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
PubChem CID83193430
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCCc1cccnc1-c1noc(C2CSCC2NC)n1
InChIInChI=1S/C14H18N4OS/c1-3-9-5-4-6-16-12(9)13-17-14(19-18-13)10-7-20-8-11(10)15-2/h4-6,10-11,15H,3,7-8H2,1-2H3
InChIKeyUYTQSWZPTPVBSK-UHFFFAOYSA-N
XLogP2.11
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-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

4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201211
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83192862
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82737536
(3R,5R)-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912505
N-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200492
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424986
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474780

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (CID 83193430) is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is CCc1cccnc1-c1noc(C2CSCC2NC)n1.
What is the InChIKey of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The InChIKey is UYTQSWZPTPVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-9-5-4-6-16-12(9)13-17-14(19-18-13)10-7-20-8-11(10)15-2/h4-6,10-11,15H,3,7-8H2,1-2H3.
What are the key properties of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine has a molecular weight of 290.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83193430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).