2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole

C16H17N3OS — CID 126951506

IUPAC2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
SMILESc1cc(OC2CCN(c3nccs3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C16H17N3OS/c1-2-14-13(4-7-17-14)15(3-1)20-12-5-9-19(10-6-12)16-18-8-11-21-16/h1-4,7-8,11-12,17H,5-6,9-10H2
InChIKeyKGVLIRCNSWACSS-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.67
Rot. Bonds3

About 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole

2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole (PubChem CID 126951506) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
PubChem CID126951506
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
SMILESc1cc(OC2CCN(c3nccs3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C16H17N3OS/c1-2-14-13(4-7-17-14)15(3-1)20-12-5-9-19(10-6-12)16-18-8-11-21-16/h1-4,7-8,11-12,17H,5-6,9-10H2
InChIKeyKGVLIRCNSWACSS-UHFFFAOYSA-N
XLogP3.67
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole (CID 126951506) is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole is c1cc(OC2CCN(c3nccs3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole?
The InChIKey is KGVLIRCNSWACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-14-13(4-7-17-14)15(3-1)20-12-5-9-19(10-6-12)16-18-8-11-21-16/h1-4,7-8,11-12,17H,5-6,9-10H2.
What are the key properties of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole?
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126951506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).