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

C13H15N3O3S3 — CID 11999020

IUPACN-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESC=CCNS(=O)(=O)c1cc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C13H15N3O3S3/c1-4-5-14-22(18,19)11-6-10(7-20-11)12-8(2)15-13(21-12)16-9(3)17/h4,6-7,14H,1,5H2,2-3H3,(H,15,16,17)
InChIKeyCVTOVSVUMAQVGK-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.60
Rot. Bonds6

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

N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11999020) has the molecular formula C13H15N3O3S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID11999020
Molecular FormulaC13H15N3O3S3
Molecular Weight357.48 g/mol
Exact Mass357.03
IUPAC NameN-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESC=CCNS(=O)(=O)c1cc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C13H15N3O3S3/c1-4-5-14-22(18,19)11-6-10(7-20-11)12-8(2)15-13(21-12)16-9(3)17/h4,6-7,14H,1,5H2,2-3H3,(H,15,16,17)
InChIKeyCVTOVSVUMAQVGK-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide (CID 11999020) is N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide is C=CCNS(=O)(=O)c1cc(-c2sc(NC(C)=O)nc2C)cs1.
What is the InChIKey of N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CVTOVSVUMAQVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S3/c1-4-5-14-22(18,19)11-6-10(7-20-11)12-8(2)15-13(21-12)16-9(3)17/h4,6-7,14H,1,5H2,2-3H3,(H,15,16,17).
What are the key properties of N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11999020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).