1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea

C18H23N3OS2 — CID 3676202

IUPAC1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1cccc(SC)c1)C(C)c1ccccn1
InChIInChI=1S/C18H23N3OS2/c1-14(17-9-4-5-10-19-17)21(11-12-22-2)18(23)20-15-7-6-8-16(13-15)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,23)
InChIKeyRXWGDIGSPUDUNK-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.21
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea

1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea (PubChem CID 3676202) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea
PubChem CID3676202
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1cccc(SC)c1)C(C)c1ccccn1
InChIInChI=1S/C18H23N3OS2/c1-14(17-9-4-5-10-19-17)21(11-12-22-2)18(23)20-15-7-6-8-16(13-15)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,23)
InChIKeyRXWGDIGSPUDUNK-UHFFFAOYSA-N
XLogP4.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.21
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-(3-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-2-ylethyl)thiourea
CID 3704045
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
2-[(2-fluorophenyl)carbamothioyl-(1-pyridin-2-ylethyl)amino]ethyl-dimethylazanium
CID 4217707
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633
2-(2-methoxy-1-methylsulfanylethyl)pyridine
CID 146229579
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
1-(3,4-dichlorophenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 2439903
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
3-(2-chlorophenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
CID 3681007

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea (CID 3676202) is 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea is COCCN(C(=S)Nc1cccc(SC)c1)C(C)c1ccccn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea?
The InChIKey is RXWGDIGSPUDUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-14(17-9-4-5-10-19-17)21(11-12-22-2)18(23)20-15-7-6-8-16(13-15)24-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea?
1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea has a molecular weight of 361.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methylsulfanylphenyl)-1-(1-pyridin-2-ylethyl)thiourea is sourced from PubChem (CID 3676202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).