4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

C18H16N4O3S3 — CID 3245324

IUPAC4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1
InChIInChI=1S/C18H16N4O3S3/c1-10-19-15-14(26-10)9-8-13-16(15)27-18(20-13)21-17(23)11-4-6-12(7-5-11)28(24,25)22(2)3/h4-9H,1-3H3,(H,20,21,23)
InChIKeyRXXFSWFKNAVPSA-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.72
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 3245324) has the molecular formula C18H16N4O3S3 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
PubChem CID3245324
Molecular FormulaC18H16N4O3S3
Molecular Weight432.55 g/mol
Exact Mass432.04
IUPAC Name4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1
InChIInChI=1S/C18H16N4O3S3/c1-10-19-15-14(26-10)9-8-13-16(15)27-18(20-13)21-17(23)11-4-6-12(7-5-11)28(24,25)22(2)3/h4-9H,1-3H3,(H,20,21,23)
InChIKeyRXXFSWFKNAVPSA-UHFFFAOYSA-N
XLogP3.72
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide 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

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(6-Methyl-1,3-benzothiazol-2-YL)-4-(thiophene-2-sulfonamido)benzamide
CID 12004426
N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide
CID 2147588
N-(Benzo[d]thiazol-2-yl)-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 2529879
4-(N-benzyl-N-methylsulfamoyl)-N-(2-methylbenzo[d]thiazol-5-yl)benzamide
CID 3514286
N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 8379104
2-chloro-N-[[6-(2-pyrrolidin-1-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 25262608
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 3470025
N-(2-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-7-yl)-1,3-benzothiazole-6-carboxamide
CID 4158052

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (CID 3245324) is 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is RXXFSWFKNAVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S3/c1-10-19-15-14(26-10)9-8-13-16(15)27-18(20-13)21-17(23)11-4-6-12(7-5-11)28(24,25)22(2)3/h4-9H,1-3H3,(H,20,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3245324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).