1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea

C15H19FN2O2S — CID 111618659

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCSC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2S/c16-11-2-3-12-10(7-11)1-4-13(12)18-14(19)17-8-15(20)5-6-21-9-15/h2-3,7,13,20H,1,4-6,8-9H2,(H2,17,18,19)
InChIKeyRCCMSMNOZIWJQB-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.98
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea (PubChem CID 111618659) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
PubChem CID111618659
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCSC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2S/c16-11-2-3-12-10(7-11)1-4-13(12)18-14(19)17-8-15(20)5-6-21-9-15/h2-3,7,13,20H,1,4-6,8-9H2,(H2,17,18,19)
InChIKeyRCCMSMNOZIWJQB-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(thian-4-ylmethyl)urea
CID 75425272
3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-sulfanylurea
CID 87494138
1-(4-Fluorobenzyl)-3-(2-hydroxy-2-methyl-4-(methylthio)butyl)urea
CID 71787413
1-[[4-Fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 71921469
1-(5-Fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71923755
1-[1-(2,5-Difluorophenyl)propyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925069
1-[3-(3-Fluorophenyl)propyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925078
1-[Cyclopropyl-(4-fluorophenyl)methyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925081
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-methylsulfonylbutan-2-yl)urea
CID 71969159
1-[[4-Fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71971855
1-[(3-Hydroxythiolan-3-yl)methyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 71981467
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 72002923

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea (CID 111618659) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea is O=C(NCC1(O)CCSC1)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The InChIKey is RCCMSMNOZIWJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c16-11-2-3-12-10(7-11)1-4-13(12)18-14(19)17-8-15(20)5-6-21-9-15/h2-3,7,13,20H,1,4-6,8-9H2,(H2,17,18,19).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea has a molecular weight of 310.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea is sourced from PubChem (CID 111618659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).