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

C13H17N3O4S3 — CID 11998792

IUPACN-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCCO)c2)s1
InChIInChI=1S/C13H17N3O4S3/c1-8-12(22-13(15-8)16-9(2)18)10-6-11(21-7-10)23(19,20)14-4-3-5-17/h6-7,14,17H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyZVJMGJMOUOTRPV-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.80
Rot. Bonds7

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

N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998792) has the molecular formula C13H17N3O4S3 and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998792
Molecular FormulaC13H17N3O4S3
Molecular Weight375.50 g/mol
Exact Mass375.04
IUPAC NameN-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCCO)c2)s1
InChIInChI=1S/C13H17N3O4S3/c1-8-12(22-13(15-8)16-9(2)18)10-6-11(21-7-10)23(19,20)14-4-3-5-17/h6-7,14,17H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyZVJMGJMOUOTRPV-UHFFFAOYSA-N
XLogP1.80
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998792) is N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCCO)c2)s1.
What is the InChIKey of N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZVJMGJMOUOTRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S3/c1-8-12(22-13(15-8)16-9(2)18)10-6-11(21-7-10)23(19,20)14-4-3-5-17/h6-7,14,17H,3-5H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-hydroxypropylsulfamoyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).