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

C19H27N3O2S — CID 4217771

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1
InChIInChI=1S/C19H27N3O2S/c1-5-23-18-10-7-6-9-16(18)20-19(25)22(13-12-21(3)4)15(2)17-11-8-14-24-17/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,25)
InChIKeyMVPXWAQGOXRJTD-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.00
Rot. Bonds8

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

1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea (PubChem CID 4217771) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
PubChem CID4217771
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1
InChIInChI=1S/C19H27N3O2S/c1-5-23-18-10-7-6-9-16(18)20-19(25)22(13-12-21(3)4)15(2)17-11-8-14-24-17/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,25)
InChIKeyMVPXWAQGOXRJTD-UHFFFAOYSA-N
XLogP4.00
TPSA40.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 5170461
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
1-[(2,3-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4232688
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4299821
1-benzyl-3-(2-ethoxyphenyl)-1-(2-phenylethyl)thiourea
CID 23853291
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 112511009
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea (CID 4217771) is 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea is CCOc1ccccc1NC(=S)N(CCN(C)C)C(C)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
The InChIKey is MVPXWAQGOXRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-5-23-18-10-7-6-9-16(18)20-19(25)22(13-12-21(3)4)15(2)17-11-8-14-24-17/h6-11,14-15H,5,12-13H2,1-4H3,(H,20,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea?
1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea has a molecular weight of 361.51 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 4217771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).