1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea

C12H20N4OS — CID 43076072

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCc1cccnc1N(C)C
InChIInChI=1S/C12H20N4OS/c1-16(2)11-10(5-4-6-13-11)9-15-12(18)14-7-8-17-3/h4-6H,7-9H2,1-3H3,(H2,14,15,18)
InChIKeyFGUGNCHLGGVTNR-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.76
Rot. Bonds6

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea (PubChem CID 43076072) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea
PubChem CID43076072
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCc1cccnc1N(C)C
InChIInChI=1S/C12H20N4OS/c1-16(2)11-10(5-4-6-13-11)9-15-12(18)14-7-8-17-3/h4-6H,7-9H2,1-3H3,(H2,14,15,18)
InChIKeyFGUGNCHLGGVTNR-UHFFFAOYSA-N
XLogP0.76
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylsulfanylethyl)thiourea
CID 43076043
1-benzyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076083
1-(3-chloro-2-methylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076066
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 55820188
1-(2-bicyclo[2.2.1]heptanyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076048
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
methyl 3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040079
1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
CID 113228035
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
1-(2-chloro-5-nitrophenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076044

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea (CID 43076072) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NCc1cccnc1N(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is FGUGNCHLGGVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16(2)11-10(5-4-6-13-11)9-15-12(18)14-7-8-17-3/h4-6H,7-9H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 268.39 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 43076072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).