[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea

C17H20FN3OS — CID 142715593

IUPAC[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea
SMILESCC(C)(Cc1ncccc1OCc1cccc(F)c1)NC(N)=S
InChIInChI=1S/C17H20FN3OS/c1-17(2,21-16(19)23)10-14-15(7-4-8-20-14)22-11-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H3,19,21,23)
InChIKeyFOZXNURPCYPPQW-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.95
Rot. Bonds6

About [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea

[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea (PubChem CID 142715593) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea.

Molecular Properties

Compound Name[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea
PubChem CID142715593
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea
SMILESCC(C)(Cc1ncccc1OCc1cccc(F)c1)NC(N)=S
InChIInChI=1S/C17H20FN3OS/c1-17(2,21-16(19)23)10-14-15(7-4-8-20-14)22-11-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H3,19,21,23)
InChIKeyFOZXNURPCYPPQW-UHFFFAOYSA-N
XLogP2.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea
CID 142715655
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
4-chloro-2-[(3-fluorophenyl)methoxy]benzenecarbothioamide
CID 114323062
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
4-[(5-fluoro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 102981850
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
3-[(3-fluorophenyl)methoxy]pyridazine
CID 171984777
[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 142715563
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea?
The IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea (CID 142715593) is [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea.
What is the SMILES notation for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea?
The canonical SMILES for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea is CC(C)(Cc1ncccc1OCc1cccc(F)c1)NC(N)=S.
What is the InChIKey of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea?
The InChIKey is FOZXNURPCYPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-17(2,21-16(19)23)10-14-15(7-4-8-20-14)22-11-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H3,19,21,23).
What are the key properties of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea?
[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea has a molecular weight of 333.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea is sourced from PubChem (CID 142715593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).