3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

C16H19ClN2O2S — CID 3681007

IUPAC3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)Nc1ccccc1Cl)C(C)c1ccco1
InChIInChI=1S/C16H19ClN2O2S/c1-12(15-8-5-10-21-15)19(9-11-20-2)16(22)18-14-7-4-3-6-13(14)17/h3-8,10,12H,9,11H2,1-2H3,(H,18,22)
InChIKeyPCGCAAYZEPEKQB-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.34
Rot. Bonds6

About 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (PubChem CID 3681007) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
PubChem CID3681007
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)Nc1ccccc1Cl)C(C)c1ccco1
InChIInChI=1S/C16H19ClN2O2S/c1-12(15-8-5-10-21-15)19(9-11-20-2)16(22)18-14-7-4-3-6-13(14)17/h3-8,10,12H,9,11H2,1-2H3,(H,18,22)
InChIKeyPCGCAAYZEPEKQB-UHFFFAOYSA-N
XLogP4.34
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
CID 4217771
3-(5-chloro-2-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)thiourea
CID 4615280
1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea
CID 4837057
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
3-(3-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-2-ylethyl)thiourea
CID 3704045
3-(2,6-dimethylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-2-ylethyl)thiourea
CID 3675777
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine
CID 82215232
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-(2-chlorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]acetamide
CID 62843980
2-[[2-amino-1-(furan-2-yl)propyl]-(2-methoxyethyl)amino]ethanol
CID 113467681
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The IUPAC name of 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (CID 3681007) is 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is COCCN(C(=S)Nc1ccccc1Cl)C(C)c1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The InChIKey is PCGCAAYZEPEKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-12(15-8-5-10-21-15)19(9-11-20-2)16(22)18-14-7-4-3-6-13(14)17/h3-8,10,12H,9,11H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea has a molecular weight of 338.86 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 3681007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).