N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

C15H11ClFN3O3S3 — CID 2744075

IUPACN'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O3S3/c1-8-13(25-15(18-8)12-3-2-6-24-12)14(21)19-20-26(22,23)9-4-5-11(17)10(16)7-9/h2-7,20H,1H3,(H,19,21)
InChIKeyZQZBBJBKKHBAPU-UHFFFAOYSA-N
MW431.92 g/mol
LogP3.60
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 2744075) has the molecular formula C15H11ClFN3O3S3 and a molecular weight of 431.92 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID2744075
Molecular FormulaC15H11ClFN3O3S3
Molecular Weight431.92 g/mol
Exact Mass430.96
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O3S3/c1-8-13(25-15(18-8)12-3-2-6-24-12)14(21)19-20-26(22,23)9-4-5-11(17)10(16)7-9/h2-7,20H,1H3,(H,19,21)
InChIKeyZQZBBJBKKHBAPU-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 8844257
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 78811000
4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 35065301

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (CID 2744075) is N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cccs2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZQZBBJBKKHBAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S3/c1-8-13(25-15(18-8)12-3-2-6-24-12)14(21)19-20-26(22,23)9-4-5-11(17)10(16)7-9/h2-7,20H,1H3,(H,19,21).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 431.92 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2744075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).