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

C12H21N3S3 — CID 105259904

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1nc(C)cs1)NN
InChIInChI=1S/C12H21N3S3/c1-3-10-12(17-5-4-16-10)9(15-13)6-11-14-8(2)7-18-11/h7,9-10,12,15H,3-6,13H2,1-2H3
InChIKeyLAVVMWXYASKOKD-UHFFFAOYSA-N
MW303.52 g/mol
LogP2.45
Rot. Bonds5

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

[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105259904) 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-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105259904
Molecular FormulaC12H21N3S3
Molecular Weight303.52 g/mol
Exact Mass303.09
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1nc(C)cs1)NN
InChIInChI=1S/C12H21N3S3/c1-3-10-12(17-5-4-16-10)9(15-13)6-11-14-8(2)7-18-11/h7,9-10,12,15H,3-6,13H2,1-2H3
InChIKeyLAVVMWXYASKOKD-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

1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113299721
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
[1-(4,4-dimethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105231723
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105224737
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)nonylhydrazine
CID 105259853
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105019461
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984877
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 105259904) is [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is CCC1SCCSC1C(Cc1nc(C)cs1)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is LAVVMWXYASKOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S3/c1-3-10-12(17-5-4-16-10)9(15-13)6-11-14-8(2)7-18-11/h7,9-10,12,15H,3-6,13H2,1-2H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).