N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide

C18H16FN3O3S2 — CID 30288486

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c(F)c1
InChIInChI=1S/C18H16FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-6,9-11,21H,7-8H2,1H3
InChIKeyMIQDHMOOLGYLME-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.60
Rot. Bonds5

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide (PubChem CID 30288486) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
PubChem CID30288486
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c(F)c1
InChIInChI=1S/C18H16FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-6,9-11,21H,7-8H2,1H3
InChIKeyMIQDHMOOLGYLME-UHFFFAOYSA-N
XLogP3.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 121031239
2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
3-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methylbenzenesulfonamide
CID 121031242
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 121031214
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
CID 7488179
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873809
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 40506234
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide (CID 30288486) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c(F)c1.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is MIQDHMOOLGYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-6,9-11,21H,7-8H2,1H3.
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 30288486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).