N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide

C18H14ClN3O3S — CID 35929815

IUPACN'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C18H14ClN3O3S/c1-25-12-8-6-11(7-9-12)18-20-15(10-26-18)17(24)22-21-16(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyDWEYAYVHGDBANH-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.55
Rot. Bonds4

About N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide

N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 35929815) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID35929815
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C18H14ClN3O3S/c1-25-12-8-6-11(7-9-12)18-20-15(10-26-18)17(24)22-21-16(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyDWEYAYVHGDBANH-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.55
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

N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide
CID 17392432
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide (CID 35929815) is N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2nc(C(=O)NNC(=O)c3ccccc3Cl)cs2)cc1.
What is the InChIKey of N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is DWEYAYVHGDBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-25-12-8-6-11(7-9-12)18-20-15(10-26-18)17(24)22-21-16(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide?
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 387.85 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 35929815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).