1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea

C11H12FN3OS — CID 108897563

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NC1=NCCS1
InChIInChI=1S/C11H12FN3OS/c12-9-4-2-1-3-8(9)7-14-10(16)15-11-13-5-6-17-11/h1-4H,5-7H2,(H2,13,14,15,16)
InChIKeyWARQGBTWHIABFQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.73
Rot. Bonds2

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 108897563) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID108897563
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NC1=NCCS1
InChIInChI=1S/C11H12FN3OS/c12-9-4-2-1-3-8(9)7-14-10(16)15-11-13-5-6-17-11/h1-4H,5-7H2,(H2,13,14,15,16)
InChIKeyWARQGBTWHIABFQ-UHFFFAOYSA-N
XLogP1.73
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea (CID 108897563) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)NC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is WARQGBTWHIABFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c12-9-4-2-1-3-8(9)7-14-10(16)15-11-13-5-6-17-11/h1-4H,5-7H2,(H2,13,14,15,16).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 253.30 g/mol, XLogP of 1.73, 2 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-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 108897563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).