N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide

C21H19N5OS — CID 55786551

IUPACN'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCn1cc(-c2nc(C(=O)NN(Cc3ccccc3)c3ccccc3)cs2)cn1
InChIInChI=1S/C21H19N5OS/c1-25-14-17(12-22-25)21-23-19(15-28-21)20(27)24-26(18-10-6-3-7-11-18)13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H,24,27)
InChIKeyMGAKFJKGWMRQJW-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.90
Rot. Bonds6

About N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide

N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 55786551) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID55786551
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCn1cc(-c2nc(C(=O)NN(Cc3ccccc3)c3ccccc3)cs2)cn1
InChIInChI=1S/C21H19N5OS/c1-25-14-17(12-22-25)21-23-19(15-28-21)20(27)24-26(18-10-6-3-7-11-18)13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H,24,27)
InChIKeyMGAKFJKGWMRQJW-UHFFFAOYSA-N
XLogP3.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 55788913
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55789437
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
N-[1-(2-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47047800
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47082097
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide (CID 55786551) is N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide is Cn1cc(-c2nc(C(=O)NN(Cc3ccccc3)c3ccccc3)cs2)cn1.
What is the InChIKey of N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is MGAKFJKGWMRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-25-14-17(12-22-25)21-23-19(15-28-21)20(27)24-26(18-10-6-3-7-11-18)13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H,24,27).
What are the key properties of N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide?
N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 389.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55786551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).