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

C14H20N6OS2 — CID 7451211

IUPAC2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nnc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1C
InChIInChI=1S/C14H20N6OS2/c1-19-12(17-18-14(19)22-2)10-4-3-6-20(8-10)9-11(21)16-13-15-5-7-23-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,21)/t10-/m0/s1
InChIKeyGXKGILMXTCSLCW-JTQLQIEISA-N
MW352.49 g/mol
LogP1.81
Rot. Bonds5

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

2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7451211) has the molecular formula C14H20N6OS2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7451211
Molecular FormulaC14H20N6OS2
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC Name2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nnc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1C
InChIInChI=1S/C14H20N6OS2/c1-19-12(17-18-14(19)22-2)10-4-3-6-20(8-10)9-11(21)16-13-15-5-7-23-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,21)/t10-/m0/s1
InChIKeyGXKGILMXTCSLCW-JTQLQIEISA-N
XLogP1.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6489388
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 6489368
N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 7451183
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92640621
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090
2-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110264604
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110249388
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 7451211) is 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CSc1nnc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1C.
What is the InChIKey of 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GXKGILMXTCSLCW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6OS2/c1-19-12(17-18-14(19)22-2)10-4-3-6-20(8-10)9-11(21)16-13-15-5-7-23-13/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,21)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 352.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7451211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).