1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

C11H9ClF3N3OS — CID 54151757

IUPAC1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3OS/c12-7-3-1-2-6(11(13,14)15)8(7)17-9(19)18-10-16-4-5-20-10/h1-3H,4-5H2,(H2,16,17,18,19)
InChIKeyOIFVNBFVUQMMHZ-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.58
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 54151757) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID54151757
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3OS/c12-7-3-1-2-6(11(13,14)15)8(7)17-9(19)18-10-16-4-5-20-10/h1-3H,4-5H2,(H2,16,17,18,19)
InChIKeyOIFVNBFVUQMMHZ-UHFFFAOYSA-N
XLogP3.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (CID 54151757) is 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is O=C(NC1=NCCS1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is OIFVNBFVUQMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c12-7-3-1-2-6(11(13,14)15)8(7)17-9(19)18-10-16-4-5-20-10/h1-3H,4-5H2,(H2,16,17,18,19).
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 323.73 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 54151757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).