[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

C15H17IN2OS — CID 105333606

IUPAC[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1csc(I)c1
InChIInChI=1S/C15H17IN2OS/c16-15-8-11(9-20-15)13(18-17)7-10-5-6-19-14-4-2-1-3-12(10)14/h1-4,8-10,13,18H,5-7,17H2
InChIKeyMTTBMCRJXKAVCS-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.81
Rot. Bonds4

About [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (PubChem CID 105333606) has the molecular formula C15H17IN2OS and a molecular weight of 400.29 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
PubChem CID105333606
Molecular FormulaC15H17IN2OS
Molecular Weight400.29 g/mol
Exact Mass400.01
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1csc(I)c1
InChIInChI=1S/C15H17IN2OS/c16-15-8-11(9-20-15)13(18-17)7-10-5-6-19-14-4-2-1-3-12(10)14/h1-4,8-10,13,18H,5-7,17H2
InChIKeyMTTBMCRJXKAVCS-UHFFFAOYSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105222674
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105198169
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 103408767
[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105253220
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
CID 105333561
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(4-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104769293
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
4-(3,4-dihydro-2H-chromen-4-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259425

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (CID 105333606) is [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is NNC(CC1CCOc2ccccc21)c1csc(I)c1.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The InChIKey is MTTBMCRJXKAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2OS/c16-15-8-11(9-20-15)13(18-17)7-10-5-6-19-14-4-2-1-3-12(10)14/h1-4,8-10,13,18H,5-7,17H2.
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine has a molecular weight of 400.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105333606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).