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

C14H20N4O2S — CID 116742479

IUPAC5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOC1(c2noc(-c3sc(N)nc3C)n2)CCC(C)CC1
InChIInChI=1S/C14H20N4O2S/c1-8-4-6-14(19-3,7-5-8)12-17-11(20-18-12)10-9(2)16-13(15)21-10/h8H,4-7H2,1-3H3,(H2,15,16)
InChIKeyOVXZDCYRCUPCDV-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.14
Rot. Bonds3

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

5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 116742479) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID116742479
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOC1(c2noc(-c3sc(N)nc3C)n2)CCC(C)CC1
InChIInChI=1S/C14H20N4O2S/c1-8-4-6-14(19-3,7-5-8)12-17-11(20-18-12)10-9(2)16-13(15)21-10/h8H,4-7H2,1-3H3,(H2,15,16)
InChIKeyOVXZDCYRCUPCDV-UHFFFAOYSA-N
XLogP3.14
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116742411
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793825
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116701325
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (CID 116742479) is 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is COC1(c2noc(-c3sc(N)nc3C)n2)CCC(C)CC1.
What is the InChIKey of 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is OVXZDCYRCUPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8-4-6-14(19-3,7-5-8)12-17-11(20-18-12)10-9(2)16-13(15)21-10/h8H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116742479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).