1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea

C19H18FN3O2S — CID 60610907

IUPAC1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C19H18FN3O2S/c20-15-3-1-4-16(11-15)25-18-7-6-14(12-22-18)13-23-19(24)21-9-8-17-5-2-10-26-17/h1-7,10-12H,8-9,13H2,(H2,21,23,24)
InChIKeyASTSFQSRXRJKDJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.12
Rot. Bonds7

About 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea

1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 60610907) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID60610907
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C19H18FN3O2S/c20-15-3-1-4-16(11-15)25-18-7-6-14(12-22-18)13-23-19(24)21-9-8-17-5-2-10-26-17/h1-7,10-12H,8-9,13H2,(H2,21,23,24)
InChIKeyASTSFQSRXRJKDJ-UHFFFAOYSA-N
XLogP4.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111351472
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 60610815
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea (CID 60610907) is 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is ASTSFQSRXRJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-3-1-4-16(11-15)25-18-7-6-14(12-22-18)13-23-19(24)21-9-8-17-5-2-10-26-17/h1-7,10-12H,8-9,13H2,(H2,21,23,24).
What are the key properties of 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea?
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 371.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 60610907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).