1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C15H15N5OS — CID 75429961

IUPAC1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H15N5OS/c21-15(16-8-6-12-10-22-11-17-12)18-14-7-9-20(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H2,16,18,19,21)
InChIKeyFKFUIGGOSULJGY-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.69
Rot. Bonds5

About 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75429961) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID75429961
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H15N5OS/c21-15(16-8-6-12-10-22-11-17-12)18-14-7-9-20(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H2,16,18,19,21)
InChIKeyFKFUIGGOSULJGY-UHFFFAOYSA-N
XLogP2.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 75429961) is 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1cscn1)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is FKFUIGGOSULJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(16-8-6-12-10-22-11-17-12)18-14-7-9-20(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H2,16,18,19,21).
What are the key properties of 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 313.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75429961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).