3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine

C14H23N3S — CID 143439994

IUPAC3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine
SMILESCCCC(C)C(/C=C(\C)Nc1cc(C)ns1)=N\C
InChIInChI=1S/C14H23N3S/c1-6-7-10(2)13(15-5)8-11(3)16-14-9-12(4)17-18-14/h8-10,16H,6-7H2,1-5H3/b11-8+,15-13-
InChIKeyOCDSURFYALWKAW-FYIWHTENSA-N
MW265.43 g/mol
LogP4.27
Rot. Bonds6

About 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine

3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine (PubChem CID 143439994) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine
PubChem CID143439994
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine
SMILESCCCC(C)C(/C=C(\C)Nc1cc(C)ns1)=N\C
InChIInChI=1S/C14H23N3S/c1-6-7-10(2)13(15-5)8-11(3)16-14-9-12(4)17-18-14/h8-10,16H,6-7H2,1-5H3/b11-8+,15-13-
InChIKeyOCDSURFYALWKAW-FYIWHTENSA-N
XLogP4.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine (CID 143439994) is 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine is CCCC(C)C(/C=C(\C)Nc1cc(C)ns1)=N\C.
What is the InChIKey of 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine?
The InChIKey is OCDSURFYALWKAW-FYIWHTENSA-N. The full InChI is InChI=1S/C14H23N3S/c1-6-7-10(2)13(15-5)8-11(3)16-14-9-12(4)17-18-14/h8-10,16H,6-7H2,1-5H3/b11-8+,15-13-.
What are the key properties of 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine?
3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine has a molecular weight of 265.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143439994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).