2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C8H11BrN4O2S — CID 170994332

IUPAC2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(Br)sc1N1CCOCC1
InChIInChI=1S/C8H11BrN4O2S/c9-8-11-5(6(14)12-10)7(16-8)13-1-3-15-4-2-13/h1-4,10H2,(H,12,14)
InChIKeyWDYQCGGVXPMTGZ-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.35
Rot. Bonds2

About 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 170994332) has the molecular formula C8H11BrN4O2S and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID170994332
Molecular FormulaC8H11BrN4O2S
Molecular Weight307.17 g/mol
Exact Mass305.98
IUPAC Name2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(Br)sc1N1CCOCC1
InChIInChI=1S/C8H11BrN4O2S/c9-8-11-5(6(14)12-10)7(16-8)13-1-3-15-4-2-13/h1-4,10H2,(H,12,14)
InChIKeyWDYQCGGVXPMTGZ-UHFFFAOYSA-N
XLogP0.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
5-[Methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 167159314
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 172695787
5-Amino-2-(methylthio)-N-4-morpholinyl-4-thiazolecarboxamide
CID 124153884
2-(1-Ethoxycyclobutyl)-5-morpholinothiazole-4-carbohydrazide
CID 126482426
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057
2-Cyclopropyl-5-(4-morpholinyl)-4-thiazolecarboxylic acid hydrazide
CID 137355568
2-Methyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 161101698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 170994332) is 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is NNC(=O)c1nc(Br)sc1N1CCOCC1.
What is the InChIKey of 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is WDYQCGGVXPMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2S/c9-8-11-5(6(14)12-10)7(16-8)13-1-3-15-4-2-13/h1-4,10H2,(H,12,14).
What are the key properties of 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 307.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 170994332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).