6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide

C11H17N3OS — CID 104761801

IUPAC6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
SMILESCC(C)OCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C11H17N3OS/c1-8(2)15-7-6-13-10-5-3-4-9(14-10)11(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyOQPWXIJRILADBB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds6

About 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide

6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide (PubChem CID 104761801) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
PubChem CID104761801
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
SMILESCC(C)OCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C11H17N3OS/c1-8(2)15-7-6-13-10-5-3-4-9(14-10)11(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyOQPWXIJRILADBB-UHFFFAOYSA-N
XLogP1.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
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'}

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Related Compounds

6-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136897
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
6-[(2,4-dimethoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 64596075

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide (CID 104761801) is 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide is CC(C)OCCNc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide?
The InChIKey is OQPWXIJRILADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(2)15-7-6-13-10-5-3-4-9(14-10)11(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide?
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide has a molecular weight of 239.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 104761801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).