azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine

C16H28N4S — CID 143630978

IUPACazane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine
SMILESCC.CC1CN=CS1.N.[H]/N=C(C(\C)=N\[H])/c1ccc(C)cc1
InChIInChI=1S/C10H12N2.C4H7NS.C2H6.H3N/c1-7-3-5-9(6-4-7)10(12)8(2)11;1-4-2-5-3-6-4;1-2;/h3-6,11-12H,1-2H3;3-4H,2H2,1H3;1-2H3;1H3/b11-8+,12-10+;;;
InChIKeyHEYOXOVBJFMUKT-GEXAPLSRSA-N
MW308.50 g/mol
LogP4.74
Rot. Bonds2

About azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine

azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine (PubChem CID 143630978) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine.

Molecular Properties

Compound Nameazane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine
PubChem CID143630978
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Nameazane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine
SMILESCC.CC1CN=CS1.N.[H]/N=C(C(\C)=N\[H])/c1ccc(C)cc1
InChIInChI=1S/C10H12N2.C4H7NS.C2H6.H3N/c1-7-3-5-9(6-4-7)10(12)8(2)11;1-4-2-5-3-6-4;1-2;/h3-6,11-12H,1-2H3;3-4H,2H2,1H3;1-2H3;1H3/b11-8+,12-10+;;;
InChIKeyHEYOXOVBJFMUKT-GEXAPLSRSA-N
XLogP4.74
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 146184680
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CID 91583110
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CID 132538169
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
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CID 53471334

Frequently Asked Questions

What is the IUPAC name of azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine?
The IUPAC name of azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine (CID 143630978) is azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine.
What is the SMILES notation for azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine?
The canonical SMILES for azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine is CC.CC1CN=CS1.N.[H]/N=C(C(\C)=N\[H])/c1ccc(C)cc1.
What is the InChIKey of azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine?
The InChIKey is HEYOXOVBJFMUKT-GEXAPLSRSA-N. The full InChI is InChI=1S/C10H12N2.C4H7NS.C2H6.H3N/c1-7-3-5-9(6-4-7)10(12)8(2)11;1-4-2-5-3-6-4;1-2;/h3-6,11-12H,1-2H3;3-4H,2H2,1H3;1-2H3;1H3/b11-8+,12-10+;;;.
What are the key properties of azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine?
azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine has a molecular weight of 308.50 g/mol, XLogP of 4.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine is sourced from PubChem (CID 143630978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).