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

C17H18N4O4S2 — CID 3887000

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-7-10-26-17(20)19-14)13-1-3-15(4-2-13)27(23,24)21-5-8-25-9-6-21/h1-4,7,10,12H,5-6,8-9,11H2,(H,18,22)
InChIKeyJFNVYZAHMHQWLY-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.35
Rot. Bonds5

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3887000) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3887000
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-7-10-26-17(20)19-14)13-1-3-15(4-2-13)27(23,24)21-5-8-25-9-6-21/h1-4,7,10,12H,5-6,8-9,11H2,(H,18,22)
InChIKeyJFNVYZAHMHQWLY-UHFFFAOYSA-N
XLogP1.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55531398
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55585525
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 3660815
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 3887000) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JFNVYZAHMHQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-7-10-26-17(20)19-14)13-1-3-15(4-2-13)27(23,24)21-5-8-25-9-6-21/h1-4,7,10,12H,5-6,8-9,11H2,(H,18,22).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 406.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3887000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).