N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide

C18H16FN3O3S2 — CID 78845259

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C18H16FN3O3S2/c1-12-6-7-13(10-16(12)27(20,24)25)17(23)21-18-22(8-9-26-18)11-14-4-2-3-5-15(14)19/h2-10H,11H2,1H3,(H2,20,24,25)/b21-18+
InChIKeyFAAGSWFKCPHRHJ-DYTRJAOYSA-N
MW405.48 g/mol
LogP2.43
Rot. Bonds4

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide (PubChem CID 78845259) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
PubChem CID78845259
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C18H16FN3O3S2/c1-12-6-7-13(10-16(12)27(20,24)25)17(23)21-18-22(8-9-26-18)11-14-4-2-3-5-15(14)19/h2-10H,11H2,1H3,(H2,20,24,25)/b21-18+
InChIKeyFAAGSWFKCPHRHJ-DYTRJAOYSA-N
XLogP2.43
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3,5-dinitrobenzamide
CID 27676586
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]furan-3-carboxamide
CID 38274326
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38274587
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide
CID 75477442
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498
N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide
CID 38274070
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 112827187
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
CID 55388028
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
CID 134048931
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
CID 38273891
2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 119822782
1-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(3-methylsulfanylpropyl)thiourea
CID 9096846

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide (CID 78845259) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)cc1S(N)(=O)=O.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide?
The InChIKey is FAAGSWFKCPHRHJ-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-12-6-7-13(10-16(12)27(20,24)25)17(23)21-18-22(8-9-26-18)11-14-4-2-3-5-15(14)19/h2-10H,11H2,1H3,(H2,20,24,25)/b21-18+.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide has a molecular weight of 405.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 78845259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).