1-cycloheptyl-3-(2-ethoxyphenyl)thiourea

C16H24N2OS — CID 19650473

IUPAC1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)NC1CCCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-19-15-12-8-7-11-14(15)18-16(20)17-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,17,18,20)
InChIKeyWBLPBTPBOMGVSY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.09
Rot. Bonds4

About 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea

1-cycloheptyl-3-(2-ethoxyphenyl)thiourea (PubChem CID 19650473) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
PubChem CID19650473
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)NC1CCCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-19-15-12-8-7-11-14(15)18-16(20)17-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,17,18,20)
InChIKeyWBLPBTPBOMGVSY-UHFFFAOYSA-N
XLogP4.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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CID 7585382
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1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
CID 971568
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-ethoxyphenyl)thiourea
CID 11859384
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-ethoxyphenyl)thiourea
CID 98109952
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
CID 3723161
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
ethyl 3-(cyclooctylcarbamothioylamino)-2-methylbenzoate
CID 100663642
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea?
The IUPAC name of 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea (CID 19650473) is 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea?
The canonical SMILES for 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea is CCOc1ccccc1NC(=S)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea?
The InChIKey is WBLPBTPBOMGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-19-15-12-8-7-11-14(15)18-16(20)17-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea?
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea has a molecular weight of 292.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-ethoxyphenyl)thiourea is sourced from PubChem (CID 19650473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).