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

C13H19F3N4OS — CID 75395155

IUPAC1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea
SMILESO=C(NCCNc1nc(C(F)(F)F)cs1)NC1CCCCC1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)10-8-22-12(20-10)18-7-6-17-11(21)19-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20)(H2,17,19,21)
InChIKeyKVNLKWKNGJSJGX-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.21
Rot. Bonds5

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

1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea (PubChem CID 75395155) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea
PubChem CID75395155
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC Name1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea
SMILESO=C(NCCNc1nc(C(F)(F)F)cs1)NC1CCCCC1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)10-8-22-12(20-10)18-7-6-17-11(21)19-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20)(H2,17,19,21)
InChIKeyKVNLKWKNGJSJGX-UHFFFAOYSA-N
XLogP3.21
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea (CID 75395155) is 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea is O=C(NCCNc1nc(C(F)(F)F)cs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea?
The InChIKey is KVNLKWKNGJSJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c14-13(15,16)10-8-22-12(20-10)18-7-6-17-11(21)19-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea?
1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea has a molecular weight of 336.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea is sourced from PubChem (CID 75395155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).