1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea

C13H19N3O2S — CID 3763474

IUPAC1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
SMILESCCN(CC)C(=S)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-16(5-2)13(19)15-12(17)14-10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3,(H2,14,15,17,19)
InChIKeyDWVJJRPWNAQUCD-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.44
Rot. Bonds4

About 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea

1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea (PubChem CID 3763474) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
PubChem CID3763474
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
SMILESCCN(CC)C(=S)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H19N3O2S/c1-4-16(5-2)13(19)15-12(17)14-10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3,(H2,14,15,17,19)
InChIKeyDWVJJRPWNAQUCD-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.44
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-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(E)-N-(diethylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276098
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
1-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4169463
N-(4-methoxyphenyl)-2-oxopropanethioamide
CID 15191748
3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941

Frequently Asked Questions

What is the IUPAC name of 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea (CID 3763474) is 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea is CCN(CC)C(=S)NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea?
The InChIKey is DWVJJRPWNAQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-16(5-2)13(19)15-12(17)14-10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3,(H2,14,15,17,19).
What are the key properties of 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea?
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea has a molecular weight of 281.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 3763474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).