1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea

C11H15FN2OS — CID 115687541

IUPAC1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc(OC)ccc1F
InChIInChI=1S/C11H15FN2OS/c1-3-6-13-11(16)14-10-7-8(15-2)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16)
InChIKeyLHVSAHMCIXALDJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea

1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea (PubChem CID 115687541) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea
PubChem CID115687541
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc(OC)ccc1F
InChIInChI=1S/C11H15FN2OS/c1-3-6-13-11(16)14-10-7-8(15-2)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16)
InChIKeyLHVSAHMCIXALDJ-UHFFFAOYSA-N
XLogP2.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-undecylthiourea
CID 19651293
1-(2,4-dimethoxyphenyl)-3-octylthiourea
CID 4299563
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
CID 166435741
1-amino-3-(2-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 116515895
1-(2-bromo-4-fluorophenyl)-3-propylthiourea
CID 115583541
1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
1-(5-methoxy-2-methylphenyl)-3-prop-2-enylthiourea
CID 4124759
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea (CID 115687541) is 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea is CCCNC(=S)Nc1cc(OC)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea?
The InChIKey is LHVSAHMCIXALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-3-6-13-11(16)14-10-7-8(15-2)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea?
1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea has a molecular weight of 242.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea is sourced from PubChem (CID 115687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).