N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C15H14BrFN4O3S — CID 46471739

IUPACN'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN4O3S/c16-10-5-9(6-11(17)7-10)13(22)19-20-14(23)12-8-25-15(18-12)21-1-3-24-4-2-21/h5-8H,1-4H2,(H,19,22)(H,20,23)
InChIKeyKZRWGTTYHBIBHQ-UHFFFAOYSA-N
MW429.27 g/mol
LogP1.96
Rot. Bonds3

About N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46471739) has the molecular formula C15H14BrFN4O3S and a molecular weight of 429.27 g/mol. Its IUPAC name is N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46471739
Molecular FormulaC15H14BrFN4O3S
Molecular Weight429.27 g/mol
Exact Mass428.00
IUPAC NameN'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN4O3S/c16-10-5-9(6-11(17)7-10)13(22)19-20-14(23)12-8-25-15(18-12)21-1-3-24-4-2-21/h5-8H,1-4H2,(H,19,22)(H,20,23)
InChIKeyKZRWGTTYHBIBHQ-UHFFFAOYSA-N
XLogP1.96
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 51.96
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

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 9344100
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17498202
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 46471739) is N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cc(F)cc(Br)c1.
What is the InChIKey of N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is KZRWGTTYHBIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4O3S/c16-10-5-9(6-11(17)7-10)13(22)19-20-14(23)12-8-25-15(18-12)21-1-3-24-4-2-21/h5-8H,1-4H2,(H,19,22)(H,20,23).
What are the key properties of N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 429.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).