[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine

C11H12BrN3OS — CID 116887788

IUPAC[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
SMILESCOc1ccc(Br)cc1-c1nc(C)c(NN)s1
InChIInChI=1S/C11H12BrN3OS/c1-6-10(15-13)17-11(14-6)8-5-7(12)3-4-9(8)16-2/h3-5,15H,13H2,1-2H3
InChIKeyYCDRLFMPDGIRDG-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.18
Rot. Bonds3

About [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine

[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine (PubChem CID 116887788) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
PubChem CID116887788
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
SMILESCOc1ccc(Br)cc1-c1nc(C)c(NN)s1
InChIInChI=1S/C11H12BrN3OS/c1-6-10(15-13)17-11(14-6)8-5-7(12)3-4-9(8)16-2/h3-5,15H,13H2,1-2H3
InChIKeyYCDRLFMPDGIRDG-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
[2-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887770
[2-(2-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887813
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376
N-[4-[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 39750069
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885804

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine (CID 116887788) is [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine is COc1ccc(Br)cc1-c1nc(C)c(NN)s1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine?
The InChIKey is YCDRLFMPDGIRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-6-10(15-13)17-11(14-6)8-5-7(12)3-4-9(8)16-2/h3-5,15H,13H2,1-2H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine has a molecular weight of 314.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine is sourced from PubChem (CID 116887788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).