[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine

C12H19ClN2OS — CID 103408526

IUPAC[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCc1csc(C(CC2CCOCC2)NN)c1Cl
InChIInChI=1S/C12H19ClN2OS/c1-8-7-17-12(11(8)13)10(15-14)6-9-2-4-16-5-3-9/h7,9-10,15H,2-6,14H2,1H3
InChIKeyFXDUGYRPVIPJBO-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.03
Rot. Bonds4

About [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine

[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine (PubChem CID 103408526) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
PubChem CID103408526
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCc1csc(C(CC2CCOCC2)NN)c1Cl
InChIInChI=1S/C12H19ClN2OS/c1-8-7-17-12(11(8)13)10(15-14)6-9-2-4-16-5-3-9/h7,9-10,15H,2-6,14H2,1H3
InChIKeyFXDUGYRPVIPJBO-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 103408767
[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298897
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103406022
[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
CID 103408753
1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
CID 103408474
[2-(oxan-4-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196721
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine (CID 103408526) is [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine is Cc1csc(C(CC2CCOCC2)NN)c1Cl.
What is the InChIKey of [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is FXDUGYRPVIPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-8-7-17-12(11(8)13)10(15-14)6-9-2-4-16-5-3-9/h7,9-10,15H,2-6,14H2,1H3.
What are the key properties of [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine?
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 274.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 103408526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).