N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

C21H18N4O4S3 — CID 3243084

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H18N4O4S3/c26-19(14-5-7-15(8-6-14)32(27,28)25-9-11-29-12-10-25)24-21-23-17(13-30-21)20-22-16-3-1-2-4-18(16)31-20/h1-8,13H,9-12H2,(H,23,24,26)
InChIKeyZBFJGCPTEJGLQX-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3243084) has the molecular formula C21H18N4O4S3 and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3243084
Molecular FormulaC21H18N4O4S3
Molecular Weight486.60 g/mol
Exact Mass486.05
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H18N4O4S3/c26-19(14-5-7-15(8-6-14)32(27,28)25-9-11-29-12-10-25)24-21-23-17(13-30-21)20-22-16-3-1-2-4-18(16)31-20/h1-8,13H,9-12H2,(H,23,24,26)
InChIKeyZBFJGCPTEJGLQX-UHFFFAOYSA-N
XLogP3.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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4-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158223
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CID 4853713
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CID 5310495
(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)(2-(ethylsulfonyl)phenyl)methanone
CID 7295167
[(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-(2-propylsulfonylphenyl)methanone
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4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
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N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 3243084) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZBFJGCPTEJGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S3/c26-19(14-5-7-15(8-6-14)32(27,28)25-9-11-29-12-10-25)24-21-23-17(13-30-21)20-22-16-3-1-2-4-18(16)31-20/h1-8,13H,9-12H2,(H,23,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 486.60 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3243084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).