N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C21H17F2N5O2S2 — CID 26311908

IUPACN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C21H17F2N5O2S2/c1-12-17(31-19(24-12)13-7-3-2-4-8-13)18(30)27-26-16(29)11-28-15-10-6-5-9-14(15)25-21(28)32-20(22)23/h2-10,20H,11H2,1H3,(H,26,29)(H,27,30)
InChIKeyGCNVPYODNXZGML-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.24
Rot. Bonds6

About N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 26311908) has the molecular formula C21H17F2N5O2S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID26311908
Molecular FormulaC21H17F2N5O2S2
Molecular Weight473.53 g/mol
Exact Mass473.08
IUPAC NameN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C21H17F2N5O2S2/c1-12-17(31-19(24-12)13-7-3-2-4-8-13)18(30)27-26-16(29)11-28-15-10-6-5-9-14(15)25-21(28)32-20(22)23/h2-10,20H,11H2,1H3,(H,26,29)(H,27,30)
InChIKeyGCNVPYODNXZGML-UHFFFAOYSA-N
XLogP4.24
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 55405766
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009523
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 4792243
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
N'-[2-(3-fluorophenyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418648
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232
methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 26311908) is N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is GCNVPYODNXZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2S2/c1-12-17(31-19(24-12)13-7-3-2-4-8-13)18(30)27-26-16(29)11-28-15-10-6-5-9-14(15)25-21(28)32-20(22)23/h2-10,20H,11H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 473.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26311908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).