[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone

C17H17N5OS — CID 71793080

IUPAC[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1nnc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)s1
InChIInChI=1S/C17H17N5OS/c1-11-20-21-16(24-11)12-4-8-22(9-5-12)17(23)13-2-3-14-15(10-13)19-7-6-18-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyJFZKMRKODZWLAW-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.81
Rot. Bonds2

About [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone

[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 71793080) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID71793080
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1nnc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)s1
InChIInChI=1S/C17H17N5OS/c1-11-20-21-16(24-11)12-4-8-22(9-5-12)17(23)13-2-3-14-15(10-13)19-7-6-18-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyJFZKMRKODZWLAW-UHFFFAOYSA-N
XLogP2.81
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 71793080) is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone is Cc1nnc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)s1.
What is the InChIKey of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is JFZKMRKODZWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-20-21-16(24-11)12-4-8-22(9-5-12)17(23)13-2-3-14-15(10-13)19-7-6-18-14/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 71793080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).