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

C9H11N5O3S3 — CID 110739067

IUPACN-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ncc(C)s2)s1
InChIInChI=1S/C9H11N5O3S3/c1-5-3-10-7(18-5)4-11-20(16,17)9-14-13-8(19-9)12-6(2)15/h3,11H,4H2,1-2H3,(H,12,13,15)
InChIKeyDXBVLXZXUUKXJH-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.74
Rot. Bonds5

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

N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110739067) has the molecular formula C9H11N5O3S3 and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110739067
Molecular FormulaC9H11N5O3S3
Molecular Weight333.42 g/mol
Exact Mass333.00
IUPAC NameN-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ncc(C)s2)s1
InChIInChI=1S/C9H11N5O3S3/c1-5-3-10-7(18-5)4-11-20(16,17)9-14-13-8(19-9)12-6(2)15/h3,11H,4H2,1-2H3,(H,12,13,15)
InChIKeyDXBVLXZXUUKXJH-UHFFFAOYSA-N
XLogP0.74
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110739067) is N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2ncc(C)s2)s1.
What is the InChIKey of N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DXBVLXZXUUKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S3/c1-5-3-10-7(18-5)4-11-20(16,17)9-14-13-8(19-9)12-6(2)15/h3,11H,4H2,1-2H3,(H,12,13,15).
What are the key properties of N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110739067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).