N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C23H22N4O5S2 — CID 2997877

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H22N4O5S2/c1-31-20-7-4-17(14-21(20)34(29,30)27-8-11-32-12-9-27)22(28)24-18-5-2-16(3-6-18)19-15-26-10-13-33-23(26)25-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyOYEKMUHWDMMEOK-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.34
Rot. Bonds6

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2997877) has the molecular formula C23H22N4O5S2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2997877
Molecular FormulaC23H22N4O5S2
Molecular Weight498.59 g/mol
Exact Mass498.10
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H22N4O5S2/c1-31-20-7-4-17(14-21(20)34(29,30)27-8-11-32-12-9-27)22(28)24-18-5-2-16(3-6-18)19-15-26-10-13-33-23(26)25-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyOYEKMUHWDMMEOK-UHFFFAOYSA-N
XLogP3.34
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 2997877) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OYEKMUHWDMMEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S2/c1-31-20-7-4-17(14-21(20)34(29,30)27-8-11-32-12-9-27)22(28)24-18-5-2-16(3-6-18)19-15-26-10-13-33-23(26)25-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 498.59 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2997877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).