N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

C13H14BrN3O4S2 — CID 4816112

IUPACN'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)Cc2csc(C)n2)cc1Br
InChIInChI=1S/C13H14BrN3O4S2/c1-8-15-9(7-22-8)5-13(18)16-17-23(19,20)10-3-4-12(21-2)11(14)6-10/h3-4,6-7,17H,5H2,1-2H3,(H,16,18)
InChIKeyLHXRTZGRYAQKHW-UHFFFAOYSA-N
MW420.31 g/mol
LogP1.77
Rot. Bonds6

About N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 4816112) has the molecular formula C13H14BrN3O4S2 and a molecular weight of 420.31 g/mol. Its IUPAC name is N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID4816112
Molecular FormulaC13H14BrN3O4S2
Molecular Weight420.31 g/mol
Exact Mass418.96
IUPAC NameN'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)Cc2csc(C)n2)cc1Br
InChIInChI=1S/C13H14BrN3O4S2/c1-8-15-9(7-22-8)5-13(18)16-17-23(19,20)10-3-4-12(21-2)11(14)6-10/h3-4,6-7,17H,5H2,1-2H3,(H,16,18)
InChIKeyLHXRTZGRYAQKHW-UHFFFAOYSA-N
XLogP1.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
CID 100814263
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
CID 4669667
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
methyl 2-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 55922717
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463664

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (CID 4816112) is N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is COc1ccc(S(=O)(=O)NNC(=O)Cc2csc(C)n2)cc1Br.
What is the InChIKey of N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is LHXRTZGRYAQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4S2/c1-8-15-9(7-22-8)5-13(18)16-17-23(19,20)10-3-4-12(21-2)11(14)6-10/h3-4,6-7,17H,5H2,1-2H3,(H,16,18).
What are the key properties of N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 420.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 4816112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).