3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea

C13H14FN3OS — CID 71844410

IUPAC3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCN(CCc1nccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-17(7-5-12-15-6-8-19-12)13(18)16-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,18)
InChIKeyVKJPFMDBUGZTCY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.99
Rot. Bonds4

About 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea

3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71844410) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID71844410
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCN(CCc1nccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H14FN3OS/c1-17(7-5-12-15-6-8-19-12)13(18)16-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,18)
InChIKeyVKJPFMDBUGZTCY-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
3-[3-(ethylsulfanylmethyl)phenyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982796
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
N-cyclopropyl-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716132
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 71865826
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 110747663
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 71844410) is 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is CN(CCc1nccs1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is VKJPFMDBUGZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-17(7-5-12-15-6-8-19-12)13(18)16-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,18).
What are the key properties of 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 279.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71844410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).