N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C16H17FN4O4S — CID 9344100

IUPACN'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O4S/c17-11-2-1-3-12(8-11)25-9-14(22)19-20-15(23)13-10-26-16(18-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,19,22)(H,20,23)
InChIKeyHOJUZJQUCMBZHO-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.96
Rot. Bonds5

About N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 9344100) has the molecular formula C16H17FN4O4S and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID9344100
Molecular FormulaC16H17FN4O4S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O4S/c17-11-2-1-3-12(8-11)25-9-14(22)19-20-15(23)13-10-26-16(18-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,19,22)(H,20,23)
InChIKeyHOJUZJQUCMBZHO-UHFFFAOYSA-N
XLogP0.96
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
CID 46417562
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 9344100) is N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(COc1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is HOJUZJQUCMBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4S/c17-11-2-1-3-12(8-11)25-9-14(22)19-20-15(23)13-10-26-16(18-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 9344100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).