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

C13H17N3O5S3 — CID 11998905

IUPACN-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCC(O)CO)c2)s1
InChIInChI=1S/C13H17N3O5S3/c1-7-12(23-13(15-7)16-8(2)18)9-3-11(22-6-9)24(20,21)14-4-10(19)5-17/h3,6,10,14,17,19H,4-5H2,1-2H3,(H,15,16,18)
InChIKeyWUFLPOSZJRGTAV-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.77
Rot. Bonds7

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

N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998905) has the molecular formula C13H17N3O5S3 and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998905
Molecular FormulaC13H17N3O5S3
Molecular Weight391.50 g/mol
Exact Mass391.03
IUPAC NameN-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCC(O)CO)c2)s1
InChIInChI=1S/C13H17N3O5S3/c1-7-12(23-13(15-7)16-8(2)18)9-3-11(22-6-9)24(20,21)14-4-10(19)5-17/h3,6,10,14,17,19H,4-5H2,1-2H3,(H,15,16,18)
InChIKeyWUFLPOSZJRGTAV-UHFFFAOYSA-N
XLogP0.77
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998905) is N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCC(O)CO)c2)s1.
What is the InChIKey of N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is WUFLPOSZJRGTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S3/c1-7-12(23-13(15-7)16-8(2)18)9-3-11(22-6-9)24(20,21)14-4-10(19)5-17/h3,6,10,14,17,19H,4-5H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,3-dihydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).