1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea

C15H23N5OS — CID 126766460

IUPAC1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCCc1cc(NC(=O)N(CC)CCc2nccs2)n(C)n1
InChIInChI=1S/C15H23N5OS/c1-4-6-12-11-13(19(3)18-12)17-15(21)20(5-2)9-7-14-16-8-10-22-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,21)
InChIKeyPYOZGEGJWLKKPG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.93
Rot. Bonds7

About 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea

1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 126766460) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID126766460
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCCc1cc(NC(=O)N(CC)CCc2nccs2)n(C)n1
InChIInChI=1S/C15H23N5OS/c1-4-6-12-11-13(19(3)18-12)17-15(21)20(5-2)9-7-14-16-8-10-22-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,21)
InChIKeyPYOZGEGJWLKKPG-UHFFFAOYSA-N
XLogP2.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 126766460) is 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea is CCCc1cc(NC(=O)N(CC)CCc2nccs2)n(C)n1.
What is the InChIKey of 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PYOZGEGJWLKKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-4-6-12-11-13(19(3)18-12)17-15(21)20(5-2)9-7-14-16-8-10-22-14/h8,10-11H,4-7,9H2,1-3H3,(H,17,21).
What are the key properties of 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 126766460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).