[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C12H21N3S3 — CID 105259979

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1csc(C)n1)NN
InChIInChI=1S/C12H21N3S3/c1-3-11-12(17-5-4-16-11)10(15-13)6-9-7-18-8(2)14-9/h7,10-12,15H,3-6,13H2,1-2H3
InChIKeyWQSWBKASHOTEEJ-UHFFFAOYSA-N
MW303.52 g/mol
LogP2.45
Rot. Bonds5

About [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105259979) has the molecular formula C12H21N3S3 and a molecular weight of 303.52 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105259979
Molecular FormulaC12H21N3S3
Molecular Weight303.52 g/mol
Exact Mass303.09
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1csc(C)n1)NN
InChIInChI=1S/C12H21N3S3/c1-3-11-12(17-5-4-16-11)10(15-13)6-9-7-18-8(2)14-9/h7,10-12,15H,3-6,13H2,1-2H3
InChIKeyWQSWBKASHOTEEJ-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115386438
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
[1-(4,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105231799
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259953
[1-(4-ethylmorpholin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105247665
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
[2-(2-methyl-1,3-thiazol-4-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221717
N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 79966820
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105259979) is [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is CCC1SCCSC1C(Cc1csc(C)n1)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is WQSWBKASHOTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S3/c1-3-11-12(17-5-4-16-11)10(15-13)6-9-7-18-8(2)14-9/h7,10-12,15H,3-6,13H2,1-2H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 303.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105259979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).