N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide

C13H12ClN3O2S — CID 2744486

IUPACN'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyHAHLUYADNBAPIR-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.49
Rot. Bonds2

About N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide

N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide (PubChem CID 2744486) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
PubChem CID2744486
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyHAHLUYADNBAPIR-UHFFFAOYSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.49
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

N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide
CID 168887163
N'-acetyl-4-chlorobenzohydrazide
CID 799230
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 9059282

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide (CID 2744486) is N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide is Cc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HAHLUYADNBAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 309.78 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2744486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).