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

C11H14F3N3OS — CID 47200101

IUPAC1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(C(F)(F)F)cs1)NC1CCCCC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)8-6-19-10(16-8)17-9(18)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,15,16,17,18)
InChIKeyMACKWKIBCGGWLB-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.62
Rot. Bonds2

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

1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 47200101) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID47200101
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(C(F)(F)F)cs1)NC1CCCCC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)8-6-19-10(16-8)17-9(18)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,15,16,17,18)
InChIKeyMACKWKIBCGGWLB-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 47200101) is 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(C(F)(F)F)cs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is MACKWKIBCGGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)8-6-19-10(16-8)17-9(18)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,15,16,17,18).
What are the key properties of 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 293.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 47200101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).