1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea

C16H24N2OS — CID 100766452

IUPAC1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea
SMILESCCOc1ccc(NC(=S)NC2(CC)CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-16(11-5-6-12-16)18-15(20)17-13-7-9-14(10-8-13)19-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,20)
InChIKeyYSATXCUSUQCVKV-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea

1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea (PubChem CID 100766452) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea
PubChem CID100766452
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea
SMILESCCOc1ccc(NC(=S)NC2(CC)CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-16(11-5-6-12-16)18-15(20)17-13-7-9-14(10-8-13)19-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,20)
InChIKeyYSATXCUSUQCVKV-UHFFFAOYSA-N
XLogP4.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.09
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-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100771378
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-(1-adamantyl)-3-(4-ethoxyphenyl)thiourea
CID 2890490
CID 87125510
CID 87125510
1-(1-ethylcyclopentyl)-3-(3-prop-2-enoxyphenyl)thiourea
CID 100771289
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
sodium;1,3-bis(4-ethoxyphenyl)thiourea;hydride;thiolane 1,1-dioxide
CID 173366694
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
1-[1-(4-ethoxyphenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
CID 100768099
1-(4-bromo-3-chlorophenyl)-3-[1-(4-ethoxyphenyl)cyclopentyl]thiourea
CID 100769265

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea (CID 100766452) is 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea is CCOc1ccc(NC(=S)NC2(CC)CCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The InChIKey is YSATXCUSUQCVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-16(11-5-6-12-16)18-15(20)17-13-7-9-14(10-8-13)19-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea has a molecular weight of 292.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea is sourced from PubChem (CID 100766452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).