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

C16H17F3N4OS — CID 25072365

IUPAC1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(24)22-13-5-8-23(9-6-13)15-20-7-10-25-15/h1-4,7,10,13H,5-6,8-9H2,(H2,21,22,24)
InChIKeyARFQDGAMBXAXDT-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.95
Rot. Bonds3

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

1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 25072365) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID25072365
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(24)22-13-5-8-23(9-6-13)15-20-7-10-25-15/h1-4,7,10,13H,5-6,8-9H2,(H2,21,22,24)
InChIKeyARFQDGAMBXAXDT-UHFFFAOYSA-N
XLogP3.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 25072365) is 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ARFQDGAMBXAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(24)22-13-5-8-23(9-6-13)15-20-7-10-25-15/h1-4,7,10,13H,5-6,8-9H2,(H2,21,22,24).
What are the key properties of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 370.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 25072365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).