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

C18H27N5OS — CID 118784809

IUPAC1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCc1nc(C)sc1CNC(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C18H27N5OS/c1-4-15-16(25-13(3)20-15)11-19-18(24)21-17-10-12(2)22-23(17)14-8-6-5-7-9-14/h10,14H,4-9,11H2,1-3H3,(H2,19,21,24)
InChIKeyCHHFVLWSBAFBGQ-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.35
Rot. Bonds5

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

1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 118784809) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID118784809
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCc1nc(C)sc1CNC(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C18H27N5OS/c1-4-15-16(25-13(3)20-15)11-19-18(24)21-17-10-12(2)22-23(17)14-8-6-5-7-9-14/h10,14H,4-9,11H2,1-3H3,(H2,19,21,24)
InChIKeyCHHFVLWSBAFBGQ-UHFFFAOYSA-N
XLogP4.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 118784809) is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea is CCc1nc(C)sc1CNC(=O)Nc1cc(C)nn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is CHHFVLWSBAFBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-4-15-16(25-13(3)20-15)11-19-18(24)21-17-10-12(2)22-23(17)14-8-6-5-7-9-14/h10,14H,4-9,11H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 361.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 118784809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).