2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide

C11H10FN3O2S3 — CID 63288690

IUPAC2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)n1
InChIInChI=1S/C11H10FN3O2S3/c1-6-5-19-11(14-6)15-20(16,17)7-2-3-9(12)8(4-7)10(13)18/h2-5H,1H3,(H2,13,18)(H,14,15)
InChIKeyNVEOKCOGMRNVEA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.03
Rot. Bonds4

About 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide

2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide (PubChem CID 63288690) has the molecular formula C11H10FN3O2S3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
PubChem CID63288690
Molecular FormulaC11H10FN3O2S3
Molecular Weight331.42 g/mol
Exact Mass330.99
IUPAC Name2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)n1
InChIInChI=1S/C11H10FN3O2S3/c1-6-5-19-11(14-6)15-20(16,17)7-2-3-9(12)8(4-7)10(13)18/h2-5H,1H3,(H2,13,18)(H,14,15)
InChIKeyNVEOKCOGMRNVEA-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81426344
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 63288656
2-fluoro-5-[(3-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62317722
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
5-[(2,2-dimethylcyclopentyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 79871093
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide (CID 63288690) is 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide is Cc1csc(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)n1.
What is the InChIKey of 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide?
The InChIKey is NVEOKCOGMRNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S3/c1-6-5-19-11(14-6)15-20(16,17)7-2-3-9(12)8(4-7)10(13)18/h2-5H,1H3,(H2,13,18)(H,14,15).
What are the key properties of 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide?
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide has a molecular weight of 331.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 63288690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).