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

C17H12ClN3O2S — CID 55386497

IUPACN'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2S/c18-13-8-6-11(7-9-13)15(22)20-21-16(23)14-10-24-17(19-14)12-4-2-1-3-5-12/h1-10H,(H,20,22)(H,21,23)
InChIKeyDUPFIMSBNMPKAH-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.54
Rot. Bonds3

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

N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 55386497) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID55386497
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC NameN'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2S/c18-13-8-6-11(7-9-13)15(22)20-21-16(23)14-10-24-17(19-14)12-4-2-1-3-5-12/h1-10H,(H,20,22)(H,21,23)
InChIKeyDUPFIMSBNMPKAH-UHFFFAOYSA-N
XLogP3.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (CID 55386497) is N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is DUPFIMSBNMPKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c18-13-8-6-11(7-9-13)15(22)20-21-16(23)14-10-24-17(19-14)12-4-2-1-3-5-12/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 357.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55386497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).