1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea

C20H25F3N4O3S2 — CID 66609919

IUPAC1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)c1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C20H25F3N4O3S2/c1-19(2,27-32(29,30)20(21,22)23)17-24-12-16(31-17)13-8-10-15(11-9-13)26-18(28)25-14-6-4-3-5-7-14/h8-12,14,27H,3-7H2,1-2H3,(H2,25,26,28)
InChIKeySXOGVCWSPWHAEL-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.94
Rot. Bonds6

About 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea

1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea (PubChem CID 66609919) has the molecular formula C20H25F3N4O3S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea
PubChem CID66609919
Molecular FormulaC20H25F3N4O3S2
Molecular Weight490.57 g/mol
Exact Mass490.13
IUPAC Name1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)c1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C20H25F3N4O3S2/c1-19(2,27-32(29,30)20(21,22)23)17-24-12-16(31-17)13-8-10-15(11-9-13)26-18(28)25-14-6-4-3-5-7-14/h8-12,14,27H,3-7H2,1-2H3,(H2,25,26,28)
InChIKeySXOGVCWSPWHAEL-UHFFFAOYSA-N
XLogP4.94
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea (CID 66609919) is 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea is CC(C)(NS(=O)(=O)C(F)(F)F)c1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1.
What is the InChIKey of 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea?
The InChIKey is SXOGVCWSPWHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3S2/c1-19(2,27-32(29,30)20(21,22)23)17-24-12-16(31-17)13-8-10-15(11-9-13)26-18(28)25-14-6-4-3-5-7-14/h8-12,14,27H,3-7H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea?
1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea has a molecular weight of 490.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[2-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1,3-thiazol-5-yl]phenyl]urea is sourced from PubChem (CID 66609919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).