4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C21H18N4O3S2 — CID 134030415

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H18N4O3S2/c26-20(16-4-8-18(9-5-16)25-10-1-13-30(25,27)28)22-17-6-2-15(3-7-17)19-14-24-11-12-29-21(24)23-19/h2-9,11-12,14H,1,10,13H2,(H,22,26)
InChIKeyIXKXDPYUDHRTRK-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.86
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 134030415) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID134030415
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H18N4O3S2/c26-20(16-4-8-18(9-5-16)25-10-1-13-30(25,27)28)22-17-6-2-15(3-7-17)19-14-24-11-12-29-21(24)23-19/h2-9,11-12,14H,1,10,13H2,(H,22,26)
InChIKeyIXKXDPYUDHRTRK-UHFFFAOYSA-N
XLogP3.86
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 134030415) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is IXKXDPYUDHRTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c26-20(16-4-8-18(9-5-16)25-10-1-13-30(25,27)28)22-17-6-2-15(3-7-17)19-14-24-11-12-29-21(24)23-19/h2-9,11-12,14H,1,10,13H2,(H,22,26).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 438.53 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 134030415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).