1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea

C10H14FN3O2S — CID 99599475

IUPAC1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@H](C[S@@](C)=O)NC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c1-7(6-17(2)16)13-10(15)14-9-4-3-8(11)5-12-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)/t7-,17-/m1/s1
InChIKeyQFTSGPZTAGLOHD-IWEMQMMOSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea

1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea (PubChem CID 99599475) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
PubChem CID99599475
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@H](C[S@@](C)=O)NC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c1-7(6-17(2)16)13-10(15)14-9-4-3-8(11)5-12-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)/t7-,17-/m1/s1
InChIKeyQFTSGPZTAGLOHD-IWEMQMMOSA-N
XLogP1.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea
CID 126824169
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701
1-(4-aminophenyl)-3-(1-methylsulfinylpropan-2-yl)urea
CID 113486517
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274
3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113486653
1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 99597160
(2S)-N'-(5-fluoro-2-pyridinyl)-2-methylbutanehydrazide
CID 137354634
1-(4-bromo-3,5-dimethylphenyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99836334
1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(5-fluoro-2-pyridinyl)urea
CID 99595837
1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 154760224
1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129006008
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea (CID 99599475) is 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea is C[C@H](C[S@@](C)=O)NC(=O)Nc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea?
The InChIKey is QFTSGPZTAGLOHD-IWEMQMMOSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-7(6-17(2)16)13-10(15)14-9-4-3-8(11)5-12-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)/t7-,17-/m1/s1.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea?
1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea is sourced from PubChem (CID 99599475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).