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

C7H9N5OS — CID 106404263

IUPAC5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCc2ncon2)s1
InChIInChI=1S/C7H9N5OS/c1-5-10-11-7(14-5)8-3-2-6-9-4-13-12-6/h4H,2-3H2,1H3,(H,8,11)
InChIKeyJDWSWKMRXOJZTQ-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.88
Rot. Bonds4

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

5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 106404263) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID106404263
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCc2ncon2)s1
InChIInChI=1S/C7H9N5OS/c1-5-10-11-7(14-5)8-3-2-6-9-4-13-12-6/h4H,2-3H2,1H3,(H,8,11)
InChIKeyJDWSWKMRXOJZTQ-UHFFFAOYSA-N
XLogP0.88
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106404734
5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133323180
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106411492
ethyl 2-methyl-2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106411506
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 106413115

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 106404263) is 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCc2ncon2)s1.
What is the InChIKey of 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JDWSWKMRXOJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-5-10-11-7(14-5)8-3-2-6-9-4-13-12-6/h4H,2-3H2,1H3,(H,8,11).
What are the key properties of 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 211.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106404263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).