ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide

C25H31N3O4S2 — CID 142902731

IUPACethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide
SMILESCC.CC.NC(=O)C1(S(=O)(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CCOCC1
InChIInChI=1S/C21H19N3O4S2.2C2H6/c22-19(25)21(8-10-28-11-9-21)30(26,27)15-6-7-17-18(12-15)29-20-23-16(13-24(17)20)14-4-2-1-3-5-14;2*1-2/h1-7,12-13H,8-11H2,(H2,22,25);2*1-2H3
InChIKeyTVVSVHPSIUPUMM-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.08
Rot. Bonds4

About ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide

ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide (PubChem CID 142902731) has the molecular formula C25H31N3O4S2 and a molecular weight of 501.67 g/mol. Its IUPAC name is ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound Nameethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide
PubChem CID142902731
Molecular FormulaC25H31N3O4S2
Molecular Weight501.67 g/mol
Exact Mass501.18
IUPAC Nameethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide
SMILESCC.CC.NC(=O)C1(S(=O)(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CCOCC1
InChIInChI=1S/C21H19N3O4S2.2C2H6/c22-19(25)21(8-10-28-11-9-21)30(26,27)15-6-7-17-18(12-15)29-20-23-16(13-24(17)20)14-4-2-1-3-5-14;2*1-2/h1-7,12-13H,8-11H2,(H2,22,25);2*1-2H3
InChIKeyTVVSVHPSIUPUMM-UHFFFAOYSA-N
XLogP5.08
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-methylimidazol-1-yl)-1,3-benzothiazol-6-yl]sulfonyl]oxane-4-carboxamide
CID 142902686
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
CID 1211584
7-amino-2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 139808441
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
CID 149083158
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
CID 66592801
(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 22523687
2-phenyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523691
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide?
The IUPAC name of ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide (CID 142902731) is ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide?
The canonical SMILES for ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide is CC.CC.NC(=O)C1(S(=O)(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CCOCC1.
What is the InChIKey of ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide?
The InChIKey is TVVSVHPSIUPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2.2C2H6/c22-19(25)21(8-10-28-11-9-21)30(26,27)15-6-7-17-18(12-15)29-20-23-16(13-24(17)20)14-4-2-1-3-5-14;2*1-2/h1-7,12-13H,8-11H2,(H2,22,25);2*1-2H3.
What are the key properties of ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide?
ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide has a molecular weight of 501.67 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 142902731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).