1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea

C13H18F3N3S2 — CID 162565633

IUPAC1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
SMILESFC(F)(F)c1csc(NC(=S)NCCC2CCCCC2)n1
InChIInChI=1S/C13H18F3N3S2/c14-13(15,16)10-8-21-12(18-10)19-11(20)17-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,17,18,19,20)
InChIKeyCUEHKVAZXZZMBJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.42
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea

1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea (PubChem CID 162565633) has the molecular formula C13H18F3N3S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
PubChem CID162565633
Molecular FormulaC13H18F3N3S2
Molecular Weight337.44 g/mol
Exact Mass337.09
IUPAC Name1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
SMILESFC(F)(F)c1csc(NC(=S)NCCC2CCCCC2)n1
InChIInChI=1S/C13H18F3N3S2/c14-13(15,16)10-8-21-12(18-10)19-11(20)17-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,17,18,19,20)
InChIKeyCUEHKVAZXZZMBJ-UHFFFAOYSA-N
XLogP4.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea (CID 162565633) is 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea is FC(F)(F)c1csc(NC(=S)NCCC2CCCCC2)n1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The InChIKey is CUEHKVAZXZZMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S2/c14-13(15,16)10-8-21-12(18-10)19-11(20)17-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,17,18,19,20).
What are the key properties of 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea has a molecular weight of 337.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea is sourced from PubChem (CID 162565633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).