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

C15H22N4OS — CID 65242981

IUPACN-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(Cc3nc(C)cs3)no2)CCCCC1
InChIInChI=1S/C15H22N4OS/c1-11-10-21-14(17-11)8-12-18-13(20-19-12)9-15(16-2)6-4-3-5-7-15/h10,16H,3-9H2,1-2H3
InChIKeyVOCAXBTXUQIMJA-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.89
Rot. Bonds5

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

N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 65242981) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID65242981
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(Cc3nc(C)cs3)no2)CCCCC1
InChIInChI=1S/C15H22N4OS/c1-11-10-21-14(17-11)8-12-18-13(20-19-12)9-15(16-2)6-4-3-5-7-15/h10,16H,3-9H2,1-2H3
InChIKeyVOCAXBTXUQIMJA-UHFFFAOYSA-N
XLogP2.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 65242981) is N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1(Cc2nc(Cc3nc(C)cs3)no2)CCCCC1.
What is the InChIKey of N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is VOCAXBTXUQIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-10-21-14(17-11)8-12-18-13(20-19-12)9-15(16-2)6-4-3-5-7-15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 306.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 65242981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).