1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea

C17H23N3OS — CID 7945101

IUPAC1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC[C@H](c2ccco2)N(C)C)cc1C
InChIInChI=1S/C17H23N3OS/c1-12-7-8-14(10-13(12)2)19-17(22)18-11-15(20(3)4)16-6-5-9-21-16/h5-10,15H,11H2,1-4H3,(H2,18,19,22)/t15-/m1/s1
InChIKeyUEVMEHYOZGPDAE-OAHLLOKOSA-N
MW317.46 g/mol
LogP3.49
Rot. Bonds5

About 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea

1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea (PubChem CID 7945101) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea
PubChem CID7945101
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC[C@H](c2ccco2)N(C)C)cc1C
InChIInChI=1S/C17H23N3OS/c1-12-7-8-14(10-13(12)2)19-17(22)18-11-15(20(3)4)16-6-5-9-21-16/h5-10,15H,11H2,1-4H3,(H2,18,19,22)/t15-/m1/s1
InChIKeyUEVMEHYOZGPDAE-OAHLLOKOSA-N
XLogP3.49
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.49
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-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945296
1-(2-chlorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiourea
CID 4837057
1-[2-(dimethylamino)-2-phenylethyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501843
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
1-(3,4-dimethylphenyl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8618168
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
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-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea (CID 7945101) is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea is Cc1ccc(NC(=S)NC[C@H](c2ccco2)N(C)C)cc1C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea?
The InChIKey is UEVMEHYOZGPDAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-7-8-14(10-13(12)2)19-17(22)18-11-15(20(3)4)16-6-5-9-21-16/h5-10,15H,11H2,1-4H3,(H2,18,19,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea has a molecular weight of 317.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea is sourced from PubChem (CID 7945101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).