1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea

C18H26F3N3OS — CID 11338261

IUPAC1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCC1CCC(N(C(=O)Nc2nccs2)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F3N3OS/c1-12-2-6-14(7-3-12)24(17(25)23-16-22-10-11-26-16)15-8-4-13(5-9-15)18(19,20)21/h10-15H,2-9H2,1H3,(H,22,23,25)
InChIKeyKJJDMVCTIVGEAX-UHFFFAOYSA-N
MW389.49 g/mol
LogP5.68
Rot. Bonds3

About 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea

1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 11338261) has the molecular formula C18H26F3N3OS and a molecular weight of 389.49 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID11338261
Molecular FormulaC18H26F3N3OS
Molecular Weight389.49 g/mol
Exact Mass389.17
IUPAC Name1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCC1CCC(N(C(=O)Nc2nccs2)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F3N3OS/c1-12-2-6-14(7-3-12)24(17(25)23-16-22-10-11-26-16)15-8-4-13(5-9-15)18(19,20)21/h10-15H,2-9H2,1H3,(H,22,23,25)
InChIKeyKJJDMVCTIVGEAX-UHFFFAOYSA-N
XLogP5.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea (CID 11338261) is 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea is CC1CCC(N(C(=O)Nc2nccs2)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is KJJDMVCTIVGEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3OS/c1-12-2-6-14(7-3-12)24(17(25)23-16-22-10-11-26-16)15-8-4-13(5-9-15)18(19,20)21/h10-15H,2-9H2,1H3,(H,22,23,25).
What are the key properties of 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea?
1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 389.49 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 11338261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).