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

C10H12N4O2S2 — CID 79963003

IUPAC4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H12N4O2S2/c1-5-7(18-10(11)12-5)9-13-8(14-16-9)6-4-17-3-2-15-6/h6H,2-4H2,1H3,(H2,11,12)
InChIKeyWNWHTNOCWHFVRB-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.89
Rot. Bonds2

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

4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 79963003) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID79963003
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H12N4O2S2/c1-5-7(18-10(11)12-5)9-13-8(14-16-9)6-4-17-3-2-15-6/h6H,2-4H2,1H3,(H2,11,12)
InChIKeyWNWHTNOCWHFVRB-UHFFFAOYSA-N
XLogP1.89
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519
2-amino-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79963501
[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
CID 79970551
3-methyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104693249
[5,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]hydrazine
CID 79969957
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793825
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79962698
5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 116742479
2-bromo-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938539
4-[2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 80549567

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 79963003) is 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(C2CSCCO2)no1.
What is the InChIKey of 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is WNWHTNOCWHFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-5-7(18-10(11)12-5)9-13-8(14-16-9)6-4-17-3-2-15-6/h6H,2-4H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79963003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).