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

C12H12BrN3O3S2 — CID 4816800

IUPACN'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2cccc(Br)c2)cs1
InChIInChI=1S/C12H12BrN3O3S2/c1-8-14-10(7-20-8)6-12(17)15-16-21(18,19)11-4-2-3-9(13)5-11/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyPHRWHZKADSNMPE-UHFFFAOYSA-N
MW390.28 g/mol
LogP1.77
Rot. Bonds5

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

N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 4816800) has the molecular formula C12H12BrN3O3S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID4816800
Molecular FormulaC12H12BrN3O3S2
Molecular Weight390.28 g/mol
Exact Mass388.95
IUPAC NameN'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2cccc(Br)c2)cs1
InChIInChI=1S/C12H12BrN3O3S2/c1-8-14-10(7-20-8)6-12(17)15-16-21(18,19)11-4-2-3-9(13)5-11/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyPHRWHZKADSNMPE-UHFFFAOYSA-N
XLogP1.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816112
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
CID 4669667
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283814
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8844226

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (CID 4816800) is N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is Cc1nc(CC(=O)NNS(=O)(=O)c2cccc(Br)c2)cs1.
What is the InChIKey of N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is PHRWHZKADSNMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S2/c1-8-14-10(7-20-8)6-12(17)15-16-21(18,19)11-4-2-3-9(13)5-11/h2-5,7,16H,6H2,1H3,(H,15,17).
What are the key properties of N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 390.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 4816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).