N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

C18H13Cl2N3O3S — CID 2743894

IUPACN'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(COc2ccccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-12-7-5-11(6-8-12)17(24)22-23-18(25)14-10-27-16(21-14)9-26-15-4-2-1-3-13(15)20/h1-8,10H,9H2,(H,22,24)(H,23,25)
InChIKeyUOOZSNYIZKVHDD-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.10
Rot. Bonds5

About N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2743894) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2743894
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC NameN'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(COc2ccccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-12-7-5-11(6-8-12)17(24)22-23-18(25)14-10-27-16(21-14)9-26-15-4-2-1-3-13(15)20/h1-8,10H,9H2,(H,22,24)(H,23,25)
InChIKeyUOOZSNYIZKVHDD-UHFFFAOYSA-N
XLogP4.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.10
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

2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 2743893
4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42682541
N'-(4-chlorobenzoyl)-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carbohydrazide
CID 2743921
2-[(2-Chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743890
N-({2-[(2,5-Dichlorophenoxy)methyl]-1,3-thiazol-4-YL}methyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46013161
2-Chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide
CID 59402894
3-[[4-(4-Chloro-3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 132016651
N-(Butan-2-YL)-4-chloro-N-{[2-(phenoxymethyl)-1,3-thiazol-4-YL]methyl}benzamide
CID 93165852
2-[1-[2-(2-chlorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-N'-(3,5-difluorobenzoyl)-1,3-thiazole-4-carbohydrazide
CID 3562780
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 3766319
2-[1-[2-(2-chlorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-N'-(2,4-difluorobenzoyl)-1,3-thiazole-4-carbohydrazide
CID 5005657
2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24514627

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (CID 2743894) is N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(COc2ccccc2Cl)n1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is UOOZSNYIZKVHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-12-7-5-11(6-8-12)17(24)22-23-18(25)14-10-27-16(21-14)9-26-15-4-2-1-3-13(15)20/h1-8,10H,9H2,(H,22,24)(H,23,25).
What are the key properties of N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 422.29 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).