1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea

C15H20F2N2OS — CID 100768647

IUPAC1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
SMILESCOCCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-20-9-8-15(6-2-3-7-15)19-14(21)18-13-5-4-11(16)10-12(13)17/h4-5,10H,2-3,6-9H2,1H3,(H2,18,19,21)
InChIKeyUUNBLJVIWFAQBV-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.60
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea

1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea (PubChem CID 100768647) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
PubChem CID100768647
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
SMILESCOCCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-20-9-8-15(6-2-3-7-15)19-14(21)18-13-5-4-11(16)10-12(13)17/h4-5,10H,2-3,6-9H2,1H3,(H2,18,19,21)
InChIKeyUUNBLJVIWFAQBV-UHFFFAOYSA-N
XLogP3.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.60
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-(4-bromo-2-fluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
CID 100769596
1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
CID 100769389
1-(4-bromo-2-fluorophenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100769588
1-(2,4-difluorophenyl)-3-methylthiourea
CID 2729992
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
N-[(2,4-difluorophenyl)carbamothioyl]-2-methylpropanamide
CID 17099714
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678005
1-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)thiourea
CID 19649393
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea (CID 100768647) is 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea is COCCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The InChIKey is UUNBLJVIWFAQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-20-9-8-15(6-2-3-7-15)19-14(21)18-13-5-4-11(16)10-12(13)17/h4-5,10H,2-3,6-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea has a molecular weight of 314.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea is sourced from PubChem (CID 100768647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).