N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

C12H15N3O3S3 — CID 87756787

IUPACN-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccc(S(=O)(=O)N(C)C)s2)s1
InChIInChI=1S/C12H15N3O3S3/c1-8(16)14-12-13-7-10(20-12)6-9-4-5-11(19-9)21(17,18)15(2)3/h4-5,7H,6H2,1-3H3,(H,13,14,16)
InChIKeyXKSQAWUFGIKMOM-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.00
Rot. Bonds5

About N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87756787) has the molecular formula C12H15N3O3S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87756787
Molecular FormulaC12H15N3O3S3
Molecular Weight345.47 g/mol
Exact Mass345.03
IUPAC NameN-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccc(S(=O)(=O)N(C)C)s2)s1
InChIInChI=1S/C12H15N3O3S3/c1-8(16)14-12-13-7-10(20-12)6-9-4-5-11(19-9)21(17,18)15(2)3/h4-5,7H,6H2,1-3H3,(H,13,14,16)
InChIKeyXKSQAWUFGIKMOM-UHFFFAOYSA-N
XLogP2.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 87756787) is N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Cc2ccc(S(=O)(=O)N(C)C)s2)s1.
What is the InChIKey of N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XKSQAWUFGIKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S3/c1-8(16)14-12-13-7-10(20-12)6-9-4-5-11(19-9)21(17,18)15(2)3/h4-5,7H,6H2,1-3H3,(H,13,14,16).
What are the key properties of N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87756787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).