N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

C20H13N3OS2 — CID 4111203

IUPACN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21
InChIInChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-
InChIKeyVEEOGFMXMDJZFD-XDOYNYLZSA-N
MW375.48 g/mol
LogP4.74
Rot. Bonds1

About N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide (PubChem CID 4111203) has the molecular formula C20H13N3OS2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
PubChem CID4111203
Molecular FormulaC20H13N3OS2
Molecular Weight375.48 g/mol
Exact Mass375.05
IUPAC NameN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21
InChIInChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-
InChIKeyVEEOGFMXMDJZFD-XDOYNYLZSA-N
XLogP4.74
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-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

3-ethylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 40697546
3,4,5-triethoxy-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 5016322
N-(3-propyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 41006437
ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)benzo[g][1,3]benzothiazol-3-yl]acetate
CID 41204455
5-bromo-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 3469949
N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 4137122
N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 4107585
methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetate
CID 4090650
methyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 3435258
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
CID 41260676
4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 3491895
2-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)acetamide
CID 5066685

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide (CID 4111203) is N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide is Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21.
What is the InChIKey of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The InChIKey is VEEOGFMXMDJZFD-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-.
What are the key properties of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4111203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).