[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine

C14H17BrN2O3S — CID 105327817

IUPAC[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine
SMILESCOc1cc(OC)c(C(NN)c2sccc2Br)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-18-10-7-12(20-3)11(19-2)6-8(10)13(17-16)14-9(15)4-5-21-14/h4-7,13,17H,16H2,1-3H3
InChIKeyOPLWOJBJWRIFFL-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.09
Rot. Bonds6

About [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine (PubChem CID 105327817) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine
PubChem CID105327817
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine
SMILESCOc1cc(OC)c(C(NN)c2sccc2Br)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-18-10-7-12(20-3)11(19-2)6-8(10)13(17-16)14-9(15)4-5-21-14/h4-7,13,17H,16H2,1-3H3
InChIKeyOPLWOJBJWRIFFL-UHFFFAOYSA-N
XLogP3.09
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.09
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

[(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105327987
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303595
[(3-bromothiophen-2-yl)-(4-bromothiophen-2-yl)methyl]hydrazine
CID 105222634
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226
[(3-bromothiophen-2-yl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261993
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine (CID 105327817) is [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine is COc1cc(OC)c(C(NN)c2sccc2Br)cc1OC.
What is the InChIKey of [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine?
The InChIKey is OPLWOJBJWRIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-18-10-7-12(20-3)11(19-2)6-8(10)13(17-16)14-9(15)4-5-21-14/h4-7,13,17H,16H2,1-3H3.
What are the key properties of [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine has a molecular weight of 373.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105327817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).