1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea

C20H27N3O2S — CID 87419020

IUPAC1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1CC1(CNC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-2-25-17-9-5-4-8-16(17)14-20(10-6-3-7-11-20)15-22-18(24)23-19-21-12-13-26-19/h4-5,8-9,12-13H,2-3,6-7,10-11,14-15H2,1H3,(H2,21,22,23,24)
InChIKeyDWJKHHSFGUEIFI-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.86
Rot. Bonds7

About 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 87419020) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID87419020
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1CC1(CNC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-2-25-17-9-5-4-8-16(17)14-20(10-6-3-7-11-20)15-22-18(24)23-19-21-12-13-26-19/h4-5,8-9,12-13H,2-3,6-7,10-11,14-15H2,1H3,(H2,21,22,23,24)
InChIKeyDWJKHHSFGUEIFI-UHFFFAOYSA-N
XLogP4.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 87419020) is 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea is CCOc1ccccc1CC1(CNC(=O)Nc2nccs2)CCCCC1.
What is the InChIKey of 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is DWJKHHSFGUEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-25-17-9-5-4-8-16(17)14-20(10-6-3-7-11-20)15-22-18(24)23-19-21-12-13-26-19/h4-5,8-9,12-13H,2-3,6-7,10-11,14-15H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 373.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-ethoxyphenyl)methyl]cyclohexyl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87419020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).