3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide

C14H14FN3O3S2 — CID 5310095

IUPAC3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F
InChIInChI=1S/C14H14FN3O3S2/c1-9-8-22-14-17-10(7-18(9)14)6-16-23(19,20)11-3-4-13(21-2)12(15)5-11/h3-5,7-8,16H,6H2,1-2H3
InChIKeyAJYULWYVAMSVSA-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 5310095) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
PubChem CID5310095
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC Name3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F
InChIInChI=1S/C14H14FN3O3S2/c1-9-8-22-14-17-10(7-18(9)14)6-16-23(19,20)11-3-4-13(21-2)12(15)5-11/h3-5,7-8,16H,6H2,1-2H3
InChIKeyAJYULWYVAMSVSA-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide
CID 3244249
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883492
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22584390
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (CID 5310095) is 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is AJYULWYVAMSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c1-9-8-22-14-17-10(7-18(9)14)6-16-23(19,20)11-3-4-13(21-2)12(15)5-11/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 5310095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).