2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C11H15N5OS2 — CID 6458326

IUPAC2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nnc(SC(C)C(=O)Nc2nccs2)n1C
InChIInChI=1S/C11H15N5OS2/c1-4-8-14-15-11(16(8)3)19-7(2)9(17)13-10-12-5-6-18-10/h5-7H,4H2,1-3H3,(H,12,13,17)
InChIKeyXKCBRSQUFUPJBQ-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.95
Rot. Bonds5

About 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 6458326) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID6458326
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nnc(SC(C)C(=O)Nc2nccs2)n1C
InChIInChI=1S/C11H15N5OS2/c1-4-8-14-15-11(16(8)3)19-7(2)9(17)13-10-12-5-6-18-10/h5-7H,4H2,1-3H3,(H,12,13,17)
InChIKeyXKCBRSQUFUPJBQ-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 6458326) is 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is CCc1nnc(SC(C)C(=O)Nc2nccs2)n1C.
What is the InChIKey of 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XKCBRSQUFUPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-4-8-14-15-11(16(8)3)19-7(2)9(17)13-10-12-5-6-18-10/h5-7H,4H2,1-3H3,(H,12,13,17).
What are the key properties of 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 297.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6458326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).