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

C19H27N3OS — CID 5077637

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1
InChIInChI=1S/C19H27N3OS/c1-5-16-9-6-7-10-17(16)20-19(24)22(13-12-21(3)4)15(2)18-11-8-14-23-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,24)
InChIKeyPLUVEORYWCKIHC-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.16
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea (PubChem CID 5077637) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
PubChem CID5077637
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1
InChIInChI=1S/C19H27N3OS/c1-5-16-9-6-7-10-17(16)20-19(24)22(13-12-21(3)4)15(2)18-11-8-14-23-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,24)
InChIKeyPLUVEORYWCKIHC-UHFFFAOYSA-N
XLogP4.16
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea (CID 5077637) is 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea is CCc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The InChIKey is PLUVEORYWCKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-5-16-9-6-7-10-17(16)20-19(24)22(13-12-21(3)4)15(2)18-11-8-14-23-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea has a molecular weight of 345.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 5077637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).