1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C11H15N5OS — CID 47198202

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)Nc2cc(C)nn2C)n1
InChIInChI=1S/C11H15N5OS/c1-7-4-9(16(3)15-7)14-11(17)12-5-10-13-8(2)6-18-10/h4,6H,5H2,1-3H3,(H2,12,14,17)
InChIKeyFVBXEZDCFKYTFB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 47198202) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID47198202
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)Nc2cc(C)nn2C)n1
InChIInChI=1S/C11H15N5OS/c1-7-4-9(16(3)15-7)14-11(17)12-5-10-13-8(2)6-18-10/h4,6H,5H2,1-3H3,(H2,12,14,17)
InChIKeyFVBXEZDCFKYTFB-UHFFFAOYSA-N
XLogP1.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 47198202) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)Nc2cc(C)nn2C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is FVBXEZDCFKYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7-4-9(16(3)15-7)14-11(17)12-5-10-13-8(2)6-18-10/h4,6H,5H2,1-3H3,(H2,12,14,17).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 265.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 47198202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).