4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid

C8H6Br2N4O3S2 — CID 160553562

IUPAC4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid
SMILESNNC(=O)c1nc(Br)cs1.O=C(O)c1nc(Br)cs1
InChIInChI=1S/C4H4BrN3OS.C4H2BrNO2S/c5-2-1-10-4(7-2)3(9)8-6;5-2-1-9-3(6-2)4(7)8/h1H,6H2,(H,8,9);1H,(H,7,8)
InChIKeyQYJQFTCUEXIBTK-UHFFFAOYSA-N
MW430.10 g/mol
LogP2.11
Rot. Bonds2

About 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid

4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid (PubChem CID 160553562) has the molecular formula C8H6Br2N4O3S2 and a molecular weight of 430.10 g/mol. Its IUPAC name is 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid
PubChem CID160553562
Molecular FormulaC8H6Br2N4O3S2
Molecular Weight430.10 g/mol
Exact Mass427.82
IUPAC Name4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid
SMILESNNC(=O)c1nc(Br)cs1.O=C(O)c1nc(Br)cs1
InChIInChI=1S/C4H4BrN3OS.C4H2BrNO2S/c5-2-1-10-4(7-2)3(9)8-6;5-2-1-9-3(6-2)4(7)8/h1H,6H2,(H,8,9);1H,(H,7,8)
InChIKeyQYJQFTCUEXIBTK-UHFFFAOYSA-N
XLogP2.11
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.10
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-bromo-N-(1-cyanoethyl)-1,3-thiazole-2-carboxamide
CID 130678505
1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
CID 11160645
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylethanone
CID 131123959
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid (CID 160553562) is 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid is NNC(=O)c1nc(Br)cs1.O=C(O)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid?
The InChIKey is QYJQFTCUEXIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3OS.C4H2BrNO2S/c5-2-1-10-4(7-2)3(9)8-6;5-2-1-9-3(6-2)4(7)8/h1H,6H2,(H,8,9);1H,(H,7,8).
What are the key properties of 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid?
4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid has a molecular weight of 430.10 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazole-2-carbohydrazide;4-bromo-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 160553562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).