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

C15H22F3N3OS — CID 75504461

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(C(C)CNC(=O)NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C15H22F3N3OS/c1-9(13-20-10(2)8-23-13)7-19-14(22)21-12-5-3-4-11(6-12)15(16,17)18/h8-9,11-12H,3-7H2,1-2H3,(H2,19,21,22)
InChIKeyYEMPUJVPCCCMMG-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.98
Rot. Bonds4

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

1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 75504461) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID75504461
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(C(C)CNC(=O)NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C15H22F3N3OS/c1-9(13-20-10(2)8-23-13)7-19-14(22)21-12-5-3-4-11(6-12)15(16,17)18/h8-9,11-12H,3-7H2,1-2H3,(H2,19,21,22)
InChIKeyYEMPUJVPCCCMMG-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 75504461) is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is Cc1csc(C(C)CNC(=O)NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is YEMPUJVPCCCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-9(13-20-10(2)8-23-13)7-19-14(22)21-12-5-3-4-11(6-12)15(16,17)18/h8-9,11-12H,3-7H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 349.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 75504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).