4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C25H26F2N4O3S2 — CID 4220581

IUPAC4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C25H26F2N4O3S2/c26-20-3-1-19(2-4-20)24-17-31-22(18-35-25(31)28-24)9-10-30(12-11-29-13-15-34-16-14-29)36(32,33)23-7-5-21(27)6-8-23/h1-8,17-18H,9-16H2
InChIKeySRWMQCQLBVDCMV-UHFFFAOYSA-N
MW532.64 g/mol
LogP3.91
Rot. Bonds9

About 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 4220581) has the molecular formula C25H26F2N4O3S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID4220581
Molecular FormulaC25H26F2N4O3S2
Molecular Weight532.64 g/mol
Exact Mass532.14
IUPAC Name4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C25H26F2N4O3S2/c26-20-3-1-19(2-4-20)24-17-31-22(18-35-25(31)28-24)9-10-30(12-11-29-13-15-34-16-14-29)36(32,33)23-7-5-21(27)6-8-23/h1-8,17-18H,9-16H2
InChIKeySRWMQCQLBVDCMV-UHFFFAOYSA-N
XLogP3.91
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 5202722
3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4129559
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 5166878
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide
CID 5049112
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945
6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56718509
N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 4120636
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031857

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 4220581) is 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1.
What is the InChIKey of 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is SRWMQCQLBVDCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3S2/c26-20-3-1-19(2-4-20)24-17-31-22(18-35-25(31)28-24)9-10-30(12-11-29-13-15-34-16-14-29)36(32,33)23-7-5-21(27)6-8-23/h1-8,17-18H,9-16H2.
What are the key properties of 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 532.64 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4220581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).