4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide

C8H8N4OS2 — CID 20719817

IUPAC4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nsnc2C)n1
InChIInChI=1S/C8H8N4OS2/c1-4-3-14-8(9-4)10-7(13)6-5(2)11-15-12-6/h3H,1-2H3,(H,9,10,13)
InChIKeyXDDRBHAKLCJDCT-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide

4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 20719817) has the molecular formula C8H8N4OS2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID20719817
Molecular FormulaC8H8N4OS2
Molecular Weight240.31 g/mol
Exact Mass240.01
IUPAC Name4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nsnc2C)n1
InChIInChI=1S/C8H8N4OS2/c1-4-3-14-8(9-4)10-7(13)6-5(2)11-15-12-6/h3H,1-2H3,(H,9,10,13)
InChIKeyXDDRBHAKLCJDCT-UHFFFAOYSA-N
XLogP1.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide (CID 20719817) is 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide is Cc1csc(NC(=O)c2nsnc2C)n1.
What is the InChIKey of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is XDDRBHAKLCJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS2/c1-4-3-14-8(9-4)10-7(13)6-5(2)11-15-12-6/h3H,1-2H3,(H,9,10,13).
What are the key properties of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide?
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 20719817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).