1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea

C15H20F2N2OS — CID 100769389

IUPAC1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
SMILESCOCCC1(NC(=S)Nc2c(F)cccc2F)CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-20-10-9-15(7-2-3-8-15)19-14(21)18-13-11(16)5-4-6-12(13)17/h4-6H,2-3,7-10H2,1H3,(H2,18,19,21)
InChIKeySGUJROTYCGYGJZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.60
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea

1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea (PubChem CID 100769389) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
PubChem CID100769389
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
SMILESCOCCC1(NC(=S)Nc2c(F)cccc2F)CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-20-10-9-15(7-2-3-8-15)19-14(21)18-13-11(16)5-4-6-12(13)17/h4-6H,2-3,7-10H2,1H3,(H2,18,19,21)
InChIKeySGUJROTYCGYGJZ-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-(2,4-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea
CID 100768647
methyl 3-[[1-(2-methoxyethyl)cyclopentyl]carbamothioylamino]-4-methylbenzoate
CID 100768402
1-(2,6-difluorophenyl)-3-(1-pyridin-3-ylcyclopentyl)thiourea
CID 100769368
1-(2,6-difluorophenyl)-3-ethylthiourea
CID 2368797
1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100772253
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
1-(3-chloro-4-methoxyphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100767770
1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100765123
1-(4-bromo-2-fluorophenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100769588
methyl 4-chloro-3-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100769833
1-(2,6-difluorophenyl)-3-[(3-methylphenyl)methyl]thiourea
CID 100627989
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea (CID 100769389) is 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea is COCCC1(NC(=S)Nc2c(F)cccc2F)CCCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
The InChIKey is SGUJROTYCGYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-20-10-9-15(7-2-3-8-15)19-14(21)18-13-11(16)5-4-6-12(13)17/h4-6H,2-3,7-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea?
1-(2,6-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-(2,6-difluorophenyl)-3-[1-(2-methoxyethyl)cyclopentyl]thiourea is sourced from PubChem (CID 100769389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).