1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea

C11H17N3OS — CID 115612152

IUPAC1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOCC(C)NC(=S)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-8-4-5-12-6-10(8)14-11(16)13-9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H2,13,14,16)
InChIKeyWHYJYBXEVILYKY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.71
Rot. Bonds4

About 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea

1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea (PubChem CID 115612152) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea
PubChem CID115612152
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOCC(C)NC(=S)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-8-4-5-12-6-10(8)14-11(16)13-9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H2,13,14,16)
InChIKeyWHYJYBXEVILYKY-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)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-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612153
1-(5-bromo-2-methylphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 113224049
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
1-(4-bromo-3-methylphenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 8900458
1-(2-fluoro-5-methylphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 113218323
1-(1-methoxypropan-2-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]thiourea
CID 115576135
1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea
CID 115612151
1-(5-chloroquinolin-8-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 115577737
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
1-[(2R)-1-methoxypropan-2-yl]-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
CID 9176040

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea (CID 115612152) is 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea is COCC(C)NC(=S)Nc1cnccc1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea?
The InChIKey is WHYJYBXEVILYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-5-12-6-10(8)14-11(16)13-9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea?
1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea has a molecular weight of 239.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea is sourced from PubChem (CID 115612152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).