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

C9H10N4OS3 — CID 4538564

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C9H10N4OS3/c1-5-3-15-9(10-5)16-4-7(14)11-8-13-12-6(2)17-8/h3H,4H2,1-2H3,(H,11,13,14)
InChIKeyZDYFSTBUNNYPCA-UHFFFAOYSA-N
MW286.41 g/mol
LogP2.34
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 4538564) has the molecular formula C9H10N4OS3 and a molecular weight of 286.41 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID4538564
Molecular FormulaC9H10N4OS3
Molecular Weight286.41 g/mol
Exact Mass286.00
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C9H10N4OS3/c1-5-3-15-9(10-5)16-4-7(14)11-8-13-12-6(2)17-8/h3H,4H2,1-2H3,(H,11,13,14)
InChIKeyZDYFSTBUNNYPCA-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 4538564) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2nnc(C)s2)n1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZDYFSTBUNNYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS3/c1-5-3-15-9(10-5)16-4-7(14)11-8-13-12-6(2)17-8/h3H,4H2,1-2H3,(H,11,13,14).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 286.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4538564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).