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

C8H9N5O3S3 — CID 110723460

IUPACN-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)c2nccs2)s1
InChIInChI=1S/C8H9N5O3S3/c1-5(14)10-6-11-12-8(18-6)19(15,16)13(2)7-9-3-4-17-7/h3-4H,1-2H3,(H,10,11,14)
InChIKeyAPXVIKOZZGEHEY-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.78
Rot. Bonds4

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

N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110723460) has the molecular formula C8H9N5O3S3 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110723460
Molecular FormulaC8H9N5O3S3
Molecular Weight319.39 g/mol
Exact Mass318.99
IUPAC NameN-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)c2nccs2)s1
InChIInChI=1S/C8H9N5O3S3/c1-5(14)10-6-11-12-8(18-6)19(15,16)13(2)7-9-3-4-17-7/h3-4H,1-2H3,(H,10,11,14)
InChIKeyAPXVIKOZZGEHEY-UHFFFAOYSA-N
XLogP0.78
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
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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Related Compounds

N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107206300
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110318005
4-methyl-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22517994
N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102867499

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110723460) is N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N(C)c2nccs2)s1.
What is the InChIKey of N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is APXVIKOZZGEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S3/c1-5(14)10-6-11-12-8(18-6)19(15,16)13(2)7-9-3-4-17-7/h3-4H,1-2H3,(H,10,11,14).
What are the key properties of N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110723460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).