[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C13H18N4OS — CID 115442839

IUPAC[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(-c3cncs3)no2)CC1
InChIInChI=1S/C13H18N4OS/c1-9-2-4-13(7-14,5-3-9)12-16-11(17-18-12)10-6-15-8-19-10/h6,8-9H,2-5,7,14H2,1H3
InChIKeyUTIPAJWJPVFXMZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.60
Rot. Bonds3

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

[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 115442839) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID115442839
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(-c3cncs3)no2)CC1
InChIInChI=1S/C13H18N4OS/c1-9-2-4-13(7-14,5-3-9)12-16-11(17-18-12)10-6-15-8-19-10/h6,8-9H,2-5,7,14H2,1H3
InChIKeyUTIPAJWJPVFXMZ-UHFFFAOYSA-N
XLogP2.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 115442839) is [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC1CCC(CN)(c2nc(-c3cncs3)no2)CC1.
What is the InChIKey of [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is UTIPAJWJPVFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-2-4-13(7-14,5-3-9)12-16-11(17-18-12)10-6-15-8-19-10/h6,8-9H,2-5,7,14H2,1H3.
What are the key properties of [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115442839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).