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

C20H27N3O2S — CID 174479496

IUPAC1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1CC1(N(C)C(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-25-17-10-6-5-9-16(17)15-20(11-7-4-8-12-20)23(2)19(24)22-18-21-13-14-26-18/h5-6,9-10,13-14H,3-4,7-8,11-12,15H2,1-2H3,(H,21,22,24)
InChIKeyUYJJUEXEOFKVJB-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.95
Rot. Bonds6

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

1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 174479496) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
PubChem CID174479496
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1CC1(N(C)C(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-25-17-10-6-5-9-16(17)15-20(11-7-4-8-12-20)23(2)19(24)22-18-21-13-14-26-18/h5-6,9-10,13-14H,3-4,7-8,11-12,15H2,1-2H3,(H,21,22,24)
InChIKeyUYJJUEXEOFKVJB-UHFFFAOYSA-N
XLogP4.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea (CID 174479496) is 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea is CCOc1ccccc1CC1(N(C)C(=O)Nc2nccs2)CCCCC1.
What is the InChIKey of 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is UYJJUEXEOFKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-25-17-10-6-5-9-16(17)15-20(11-7-4-8-12-20)23(2)19(24)22-18-21-13-14-26-18/h5-6,9-10,13-14H,3-4,7-8,11-12,15H2,1-2H3,(H,21,22,24).
What are the key properties of 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 373.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethoxyphenyl)methyl]cyclohexyl]-1-methyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 174479496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).