2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H24N4O3S3 — CID 55864741

IUPAC2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2s1
InChIInChI=1S/C19H24N4O3S3/c1-6-23(7-2)19-21-18-16(28-19)11-15(27-18)17(24)20-14-10-13(9-8-12(14)3)29(25,26)22(4)5/h8-11H,6-7H2,1-5H3,(H,20,24)
InChIKeyIAIZHSFSLQBCAA-UHFFFAOYSA-N
MW452.63 g/mol
LogP4.02
Rot. Bonds7

About 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 55864741) has the molecular formula C19H24N4O3S3 and a molecular weight of 452.63 g/mol. Its IUPAC name is 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID55864741
Molecular FormulaC19H24N4O3S3
Molecular Weight452.63 g/mol
Exact Mass452.10
IUPAC Name2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2s1
InChIInChI=1S/C19H24N4O3S3/c1-6-23(7-2)19-21-18-16(28-19)11-15(27-18)17(24)20-14-10-13(9-8-12(14)3)29(25,26)22(4)5/h8-11H,6-7H2,1-5H3,(H,20,24)
InChIKeyIAIZHSFSLQBCAA-UHFFFAOYSA-N
XLogP4.02
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.63
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120568686
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26521783
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269
2-(diethylamino)-N-(2-ethoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865260
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5216029
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 26244304
2-(diethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865012
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4243618
N-(2-amino-2-phenylethyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119528992

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 55864741) is 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is IAIZHSFSLQBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S3/c1-6-23(7-2)19-21-18-16(28-19)11-15(27-18)17(24)20-14-10-13(9-8-12(14)3)29(25,26)22(4)5/h8-11H,6-7H2,1-5H3,(H,20,24).
What are the key properties of 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 452.63 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 55864741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).