1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea

C22H25N5O2S — CID 18772126

IUPAC1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(OCCC2CCNCC2)n1)Nc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2S/c28-22(27-19-15-30-21(25-19)17-5-2-1-3-6-17)26-18-7-4-8-20(24-18)29-14-11-16-9-12-23-13-10-16/h1-8,15-16,23H,9-14H2,(H2,24,26,27,28)
InChIKeyQQPSZKJHHPRADH-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.62
Rot. Bonds7

About 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea

1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea (PubChem CID 18772126) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea
PubChem CID18772126
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(OCCC2CCNCC2)n1)Nc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2S/c28-22(27-19-15-30-21(25-19)17-5-2-1-3-6-17)26-18-7-4-8-20(24-18)29-14-11-16-9-12-23-13-10-16/h1-8,15-16,23H,9-14H2,(H2,24,26,27,28)
InChIKeyQQPSZKJHHPRADH-UHFFFAOYSA-N
XLogP4.62
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea?
The IUPAC name of 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea (CID 18772126) is 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea?
The canonical SMILES for 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea is O=C(Nc1cccc(OCCC2CCNCC2)n1)Nc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea?
The InChIKey is QQPSZKJHHPRADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c28-22(27-19-15-30-21(25-19)17-5-2-1-3-6-17)26-18-7-4-8-20(24-18)29-14-11-16-9-12-23-13-10-16/h1-8,15-16,23H,9-14H2,(H2,24,26,27,28).
What are the key properties of 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea?
1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea has a molecular weight of 423.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea is sourced from PubChem (CID 18772126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).