N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide

C14H16FN3O3S2 — CID 7640538

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCc1cn2c(n1)SCC2
InChIInChI=1S/C14H16FN3O3S2/c1-21-12-3-2-10(15)8-13(12)23(19,20)16-5-4-11-9-18-6-7-22-14(18)17-11/h2-3,8-9,16H,4-7H2,1H3
InChIKeyMGJIOGIZTWPAFP-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 7640538) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID7640538
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCc1cn2c(n1)SCC2
InChIInChI=1S/C14H16FN3O3S2/c1-21-12-3-2-10(15)8-13(12)23(19,20)16-5-4-11-9-18-6-7-22-14(18)17-11/h2-3,8-9,16H,4-7H2,1H3
InChIKeyMGJIOGIZTWPAFP-UHFFFAOYSA-N
XLogP1.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
CID 7640542
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 7640563
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-2-phenylethanesulfonamide
CID 7640568
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
5-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxybenzenesulfonamide
CID 44826619
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 7640538) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCc1cn2c(n1)SCC2.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is MGJIOGIZTWPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-21-12-3-2-10(15)8-13(12)23(19,20)16-5-4-11-9-18-6-7-22-14(18)17-11/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 7640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).