1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea

C5H6F3N3OS — CID 108866023

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
SMILESO=C(NC1=NCCS1)NC(F)(F)F
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)11-3(12)10-4-9-1-2-13-4/h1-2H2,(H2,9,10,11,12)
InChIKeyPUEMFMJCFZSABW-UHFFFAOYSA-N
MW213.18 g/mol
LogP0.91
Rot. Bonds

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea (PubChem CID 108866023) has the molecular formula C5H6F3N3OS and a molecular weight of 213.18 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
PubChem CID108866023
Molecular FormulaC5H6F3N3OS
Molecular Weight213.18 g/mol
Exact Mass213.02
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
SMILESO=C(NC1=NCCS1)NC(F)(F)F
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)11-3(12)10-4-9-1-2-13-4/h1-2H2,(H2,9,10,11,12)
InChIKeyPUEMFMJCFZSABW-UHFFFAOYSA-N
XLogP0.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Urea, (2-thiazolin-2-yl)-
CID 568340
2,2,2-trifluoro-N-(thiazolidin-2-ylidene)acetamide
CID 4063740
N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 20502488
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 130723786

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea (CID 108866023) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea is O=C(NC1=NCCS1)NC(F)(F)F.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The InChIKey is PUEMFMJCFZSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3OS/c6-5(7,8)11-3(12)10-4-9-1-2-13-4/h1-2H2,(H2,9,10,11,12).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea has a molecular weight of 213.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 108866023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).