N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C24H21N3O3S2 — CID 134030509

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H21N3O3S2/c28-24(18-8-12-20(13-9-18)27-14-3-15-32(27,29)30)25-19-10-6-17(7-11-19)16-23-26-21-4-1-2-5-22(21)31-23/h1-2,4-13H,3,14-16H2,(H,25,28)
InChIKeyYPNZBSYNAYSQQP-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 134030509) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID134030509
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H21N3O3S2/c28-24(18-8-12-20(13-9-18)27-14-3-15-32(27,29)30)25-19-10-6-17(7-11-19)16-23-26-21-4-1-2-5-22(21)31-23/h1-2,4-13H,3,14-16H2,(H,25,28)
InChIKeyYPNZBSYNAYSQQP-UHFFFAOYSA-N
XLogP4.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-cyanobenzamide
CID 8699402
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-propan-2-yloxybenzamide
CID 54858442
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 54858330
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
CID 54857994
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 134030415

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 134030509) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is YPNZBSYNAYSQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c28-24(18-8-12-20(13-9-18)27-14-3-15-32(27,29)30)25-19-10-6-17(7-11-19)16-23-26-21-4-1-2-5-22(21)31-23/h1-2,4-13H,3,14-16H2,(H,25,28).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 134030509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).