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

C16H19ClN2OS — CID 103408767

IUPAC[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESCc1csc(C(CC2CCOc3ccccc32)NN)c1Cl
InChIInChI=1S/C16H19ClN2OS/c1-10-9-21-16(15(10)17)13(19-18)8-11-6-7-20-14-5-3-2-4-12(11)14/h2-5,9,11,13,19H,6-8,18H2,1H3
InChIKeyRVBVFNGTIPKJNF-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.17
Rot. Bonds4

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

[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (PubChem CID 103408767) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
PubChem CID103408767
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESCc1csc(C(CC2CCOc3ccccc32)NN)c1Cl
InChIInChI=1S/C16H19ClN2OS/c1-10-9-21-16(15(10)17)13(19-18)8-11-6-7-20-14-5-3-2-4-12(11)14/h2-5,9,11,13,19H,6-8,18H2,1H3
InChIKeyRVBVFNGTIPKJNF-UHFFFAOYSA-N
XLogP4.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.17
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

[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
CID 105333561
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105333606
[1-(4-bromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105222674
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105253220
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105034323
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105198169
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405352
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105179826

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (CID 103408767) is [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is Cc1csc(C(CC2CCOc3ccccc32)NN)c1Cl.
What is the InChIKey of [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The InChIKey is RVBVFNGTIPKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-10-9-21-16(15(10)17)13(19-18)8-11-6-7-20-14-5-3-2-4-12(11)14/h2-5,9,11,13,19H,6-8,18H2,1H3.
What are the key properties of [1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine has a molecular weight of 322.86 g/mol, XLogP of 4.17, 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-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 103408767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).