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

C9H12N4OS — CID 106048419

IUPAC3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCc2csc(C)n2)n1
InChIInChI=1S/C9H12N4OS/c1-6-11-9(14-13-6)10-4-3-8-5-15-7(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyFKYZDFBJZGSPJO-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.80
Rot. Bonds4

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

3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106048419) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106048419
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCc2csc(C)n2)n1
InChIInChI=1S/C9H12N4OS/c1-6-11-9(14-13-6)10-4-3-8-5-15-7(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyFKYZDFBJZGSPJO-UHFFFAOYSA-N
XLogP1.80
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 106037867
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106048419) is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCCc2csc(C)n2)n1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is FKYZDFBJZGSPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6-11-9(14-13-6)10-4-3-8-5-15-7(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 224.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106048419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).