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

C15H22N4OS — CID 164631715

IUPAC(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CN[C@@H](C)c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C15H22N4OS/c1-10-9-21-13(17-10)8-16-11(2)15-18-14(19-20-15)12-6-4-3-5-7-12/h9,11-12,16H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyVZCFHIIQMGFILN-NSHDSACASA-N
MW306.44 g/mol
LogP3.73
Rot. Bonds5

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

(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 164631715) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID164631715
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CN[C@@H](C)c2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C15H22N4OS/c1-10-9-21-13(17-10)8-16-11(2)15-18-14(19-20-15)12-6-4-3-5-7-12/h9,11-12,16H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyVZCFHIIQMGFILN-NSHDSACASA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 164631715) is (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CN[C@@H](C)c2nc(C3CCCCC3)no2)n1.
What is the InChIKey of (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is VZCFHIIQMGFILN-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-9-21-13(17-10)8-16-11(2)15-18-14(19-20-15)12-6-4-3-5-7-12/h9,11-12,16H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 306.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 164631715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).