1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C13H21N3OS — CID 78871885

IUPAC1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCC1CCCCC1NC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H21N3OS/c1-3-10-6-4-5-7-11(10)15-12(17)16-13-14-9(2)8-18-13/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHWDPDFXBRBKFOC-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 78871885) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID78871885
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCC1CCCCC1NC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H21N3OS/c1-3-10-6-4-5-7-11(10)15-12(17)16-13-14-9(2)8-18-13/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHWDPDFXBRBKFOC-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 78871885) is 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is CCC1CCCCC1NC(=O)Nc1nc(C)cs1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is HWDPDFXBRBKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-10-6-4-5-7-11(10)15-12(17)16-13-14-9(2)8-18-13/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 267.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78871885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).