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

C12H17N5OS — CID 47198197

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2csc(C)n2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-8-6-11(17(3)16-8)15-12(18)13-5-4-10-7-19-9(2)14-10/h6-7H,4-5H2,1-3H3,(H2,13,15,18)
InChIKeyANRDYQCQRNBHLK-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.86
Rot. Bonds4

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

1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 47198197) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID47198197
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2csc(C)n2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-8-6-11(17(3)16-8)15-12(18)13-5-4-10-7-19-9(2)14-10/h6-7H,4-5H2,1-3H3,(H2,13,15,18)
InChIKeyANRDYQCQRNBHLK-UHFFFAOYSA-N
XLogP1.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.86
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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 47198197) is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1cc(NC(=O)NCCc2csc(C)n2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ANRDYQCQRNBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-6-11(17(3)16-8)15-12(18)13-5-4-10-7-19-9(2)14-10/h6-7H,4-5H2,1-3H3,(H2,13,15,18).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 279.37 g/mol, XLogP of 1.86, 4 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 47198197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).