N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C12H15N3O4S3 — CID 11998798

IUPACN-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCO)c2)s1
InChIInChI=1S/C12H15N3O4S3/c1-7-11(21-12(14-7)15-8(2)17)9-5-10(20-6-9)22(18,19)13-3-4-16/h5-6,13,16H,3-4H2,1-2H3,(H,14,15,17)
InChIKeyVKWNHMSXZUXQBQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.41
Rot. Bonds6

About N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998798) has the molecular formula C12H15N3O4S3 and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998798
Molecular FormulaC12H15N3O4S3
Molecular Weight361.47 g/mol
Exact Mass361.02
IUPAC NameN-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCO)c2)s1
InChIInChI=1S/C12H15N3O4S3/c1-7-11(21-12(14-7)15-8(2)17)9-5-10(20-6-9)22(18,19)13-3-4-16/h5-6,13,16H,3-4H2,1-2H3,(H,14,15,17)
InChIKeyVKWNHMSXZUXQBQ-UHFFFAOYSA-N
XLogP1.41
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998798) is N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCO)c2)s1.
What is the InChIKey of N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VKWNHMSXZUXQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S3/c1-7-11(21-12(14-7)15-8(2)17)9-5-10(20-6-9)22(18,19)13-3-4-16/h5-6,13,16H,3-4H2,1-2H3,(H,14,15,17).
What are the key properties of N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-hydroxyethylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).