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

C11H15N5OS2 — CID 6465140

IUPAC2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)n1C(C)C
InChIInChI=1S/C11H15N5OS2/c1-7(2)16-8(3)14-15-11(16)19-6-9(17)13-10-12-4-5-18-10/h4-5,7H,6H2,1-3H3,(H,12,13,17)
InChIKeyONOHKEVPTZYAED-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.35
Rot. Bonds5

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

2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6465140) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6465140
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)n1C(C)C
InChIInChI=1S/C11H15N5OS2/c1-7(2)16-8(3)14-15-11(16)19-6-9(17)13-10-12-4-5-18-10/h4-5,7H,6H2,1-3H3,(H,12,13,17)
InChIKeyONOHKEVPTZYAED-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 6465140) is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2nccs2)n1C(C)C.
What is the InChIKey of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ONOHKEVPTZYAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7(2)16-8(3)14-15-11(16)19-6-9(17)13-10-12-4-5-18-10/h4-5,7H,6H2,1-3H3,(H,12,13,17).
What are the key properties of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6465140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).