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

C16H23N5OS — CID 71870354

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)Nc2ccnn2C2CCCCC2)s1
InChIInChI=1S/C16H23N5OS/c1-12-11-18-15(23-12)8-9-17-16(22)20-14-7-10-19-21(14)13-5-3-2-4-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H2,17,20,22)
InChIKeyKSFZACAHYSZVOA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.52
Rot. Bonds5

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

1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71870354) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71870354
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)Nc2ccnn2C2CCCCC2)s1
InChIInChI=1S/C16H23N5OS/c1-12-11-18-15(23-12)8-9-17-16(22)20-14-7-10-19-21(14)13-5-3-2-4-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H2,17,20,22)
InChIKeyKSFZACAHYSZVOA-UHFFFAOYSA-N
XLogP3.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71870354) is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)Nc2ccnn2C2CCCCC2)s1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is KSFZACAHYSZVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-11-18-15(23-12)8-9-17-16(22)20-14-7-10-19-21(14)13-5-3-2-4-6-13/h7,10-11,13H,2-6,8-9H2,1H3,(H2,17,20,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71870354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).