1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea

C11H17N3OS — CID 115612153

IUPAC1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOCCCNC(=S)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-9-4-6-12-8-10(9)14-11(16)13-5-3-7-15-2/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,16)
InChIKeyILYCLPRNKKYAFV-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.71
Rot. Bonds5

About 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea

1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea (PubChem CID 115612153) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
PubChem CID115612153
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOCCCNC(=S)Nc1cnccc1C
InChIInChI=1S/C11H17N3OS/c1-9-4-6-12-8-10(9)14-11(16)13-5-3-7-15-2/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,16)
InChIKeyILYCLPRNKKYAFV-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612152
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832
1-(3-ethoxypropyl)-3-isoquinolin-5-ylthiourea
CID 51558605
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
ethyl 4-(3-methoxypropylcarbamothioylamino)-3-methylbenzoate
CID 100584212
1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea
CID 115612151
1-(3,4-dimethoxyphenyl)-3-(3-methoxypropyl)thiourea
CID 2725123
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea (CID 115612153) is 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea is COCCCNC(=S)Nc1cnccc1C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea?
The InChIKey is ILYCLPRNKKYAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-4-6-12-8-10(9)14-11(16)13-5-3-7-15-2/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea?
1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea has a molecular weight of 239.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea is sourced from PubChem (CID 115612153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).