4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole

C19H19N3O2S2 — CID 663534

IUPAC4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,22-10-2-1-3-11-22)17-8-4-6-15(12-17)18-14-25-19(21-18)16-7-5-9-20-13-16/h4-9,12-14H,1-3,10-11H2
InChIKeyVLWIDPJPICFRHR-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.05
Rot. Bonds4

About 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole

4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 663534) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID663534
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,22-10-2-1-3-11-22)17-8-4-6-15(12-17)18-14-25-19(21-18)16-7-5-9-20-13-16/h4-9,12-14H,1-3,10-11H2
InChIKeyVLWIDPJPICFRHR-UHFFFAOYSA-N
XLogP4.05
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole (CID 663534) is 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole is O=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCCC1.
What is the InChIKey of 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is VLWIDPJPICFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-26(24,22-10-2-1-3-11-22)17-8-4-6-15(12-17)18-14-25-19(21-18)16-7-5-9-20-13-16/h4-9,12-14H,1-3,10-11H2.
What are the key properties of 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 385.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 663534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).