2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C18H20N4O5S2 — CID 3660815

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H20N4O5S2/c1-26-16-3-2-14(29(24,25)22-4-7-27-8-5-22)11-15(16)20-17(23)10-13-12-21-6-9-28-18(21)19-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,20,23)
InChIKeyVQRSIPMNERGOSI-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.61
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3660815) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3660815
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H20N4O5S2/c1-26-16-3-2-14(29(24,25)22-4-7-27-8-5-22)11-15(16)20-17(23)10-13-12-21-6-9-28-18(21)19-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,20,23)
InChIKeyVQRSIPMNERGOSI-UHFFFAOYSA-N
XLogP1.61
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 3660815) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is VQRSIPMNERGOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-26-16-3-2-14(29(24,25)22-4-7-27-8-5-22)11-15(16)20-17(23)10-13-12-21-6-9-28-18(21)19-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H,20,23).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 436.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3660815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).