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

C16H24N6OS2 — CID 6489421

IUPAC2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCSc1nnc(C2CCCN(CC(=O)Nc3nc(C)cs3)C2)n1C
InChIInChI=1S/C16H24N6OS2/c1-4-24-16-20-19-14(21(16)3)12-6-5-7-22(8-12)9-13(23)18-15-17-11(2)10-25-15/h10,12H,4-9H2,1-3H3,(H,17,18,23)
InChIKeySTKYCRXNXBPNFX-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.51
Rot. Bonds6

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

2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 6489421) has the molecular formula C16H24N6OS2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID6489421
Molecular FormulaC16H24N6OS2
Molecular Weight380.54 g/mol
Exact Mass380.15
IUPAC Name2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCSc1nnc(C2CCCN(CC(=O)Nc3nc(C)cs3)C2)n1C
InChIInChI=1S/C16H24N6OS2/c1-4-24-16-20-19-14(21(16)3)12-6-5-7-22(8-12)9-13(23)18-15-17-11(2)10-25-15/h10,12H,4-9H2,1-3H3,(H,17,18,23)
InChIKeySTKYCRXNXBPNFX-UHFFFAOYSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 6489421) is 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCSc1nnc(C2CCCN(CC(=O)Nc3nc(C)cs3)C2)n1C.
What is the InChIKey of 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is STKYCRXNXBPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS2/c1-4-24-16-20-19-14(21(16)3)12-6-5-7-22(8-12)9-13(23)18-15-17-11(2)10-25-15/h10,12H,4-9H2,1-3H3,(H,17,18,23).
What are the key properties of 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).