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

C15H18ClN3OS — CID 4837057

IUPAC1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea
SMILESCN(C)C(CNC(=S)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)13(14-8-5-9-20-14)10-17-15(21)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,21)
InChIKeyXNSLKRFVYYWCDM-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.52
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea (PubChem CID 4837057) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea
PubChem CID4837057
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea
SMILESCN(C)C(CNC(=S)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)13(14-8-5-9-20-14)10-17-15(21)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,21)
InChIKeyXNSLKRFVYYWCDM-UHFFFAOYSA-N
XLogP3.52
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea
CID 8677582
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945101
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 16875604
1-[(2S)-2-benzylbutyl]-3-(2-chlorophenyl)thiourea
CID 100704229
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8628742
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea (CID 4837057) is 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea is CN(C)C(CNC(=S)Nc1ccccc1Cl)c1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea?
The InChIKey is XNSLKRFVYYWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19(2)13(14-8-5-9-20-14)10-17-15(21)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea?
1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea has a molecular weight of 323.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 4837057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).