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

C14H14F3N3OS — CID 2726962

IUPAC1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
SMILESCC(C)NC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3OS/c1-8(2)18-13(21)20-11-7-22-12(19-11)9-3-5-10(6-4-9)14(15,16)17/h3-8H,1-2H3,(H2,18,20,21)
InChIKeyZFYOLAGNXGODPK-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.36
Rot. Bonds3

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

1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea (PubChem CID 2726962) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
PubChem CID2726962
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
SMILESCC(C)NC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3OS/c1-8(2)18-13(21)20-11-7-22-12(19-11)9-3-5-10(6-4-9)14(15,16)17/h3-8H,1-2H3,(H2,18,20,21)
InChIKeyZFYOLAGNXGODPK-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea (CID 2726962) is 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea is CC(C)NC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The InChIKey is ZFYOLAGNXGODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-8(2)18-13(21)20-11-7-22-12(19-11)9-3-5-10(6-4-9)14(15,16)17/h3-8H,1-2H3,(H2,18,20,21).
What are the key properties of 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea has a molecular weight of 329.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 2726962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).