1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea

C13H17FN2O2S — CID 71804938

IUPAC1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2ccccc2F)CCSC1
InChIInChI=1S/C13H17FN2O2S/c1-18-13(6-7-19-9-13)8-15-12(17)16-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,17)
InChIKeySTJCMOGPMKWYJM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea

1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea (PubChem CID 71804938) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
PubChem CID71804938
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2ccccc2F)CCSC1
InChIInChI=1S/C13H17FN2O2S/c1-18-13(6-7-19-9-13)8-15-12(17)16-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,17)
InChIKeySTJCMOGPMKWYJM-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584319

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea (CID 71804938) is 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea is COC1(CNC(=O)Nc2ccccc2F)CCSC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The InChIKey is STJCMOGPMKWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-18-13(6-7-19-9-13)8-15-12(17)16-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea is sourced from PubChem (CID 71804938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).