2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide

C15H17N3OS — CID 24704732

IUPAC2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
SMILESCOc1ccc(CCNc2cc(C(N)=S)ccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-19-13-4-2-11(3-5-13)6-8-17-14-10-12(15(16)20)7-9-18-14/h2-5,7,9-10H,6,8H2,1H3,(H2,16,20)(H,17,18)
InChIKeyRVZQVHQKKJNVAG-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide

2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide (PubChem CID 24704732) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
PubChem CID24704732
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
SMILESCOc1ccc(CCNc2cc(C(N)=S)ccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-19-13-4-2-11(3-5-13)6-8-17-14-10-12(15(16)20)7-9-18-14/h2-5,7,9-10H,6,8H2,1H3,(H2,16,20)(H,17,18)
InChIKeyRVZQVHQKKJNVAG-UHFFFAOYSA-N
XLogP2.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546276
2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
CID 24696486
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide (CID 24704732) is 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide is COc1ccc(CCNc2cc(C(N)=S)ccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide?
The InChIKey is RVZQVHQKKJNVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-19-13-4-2-11(3-5-13)6-8-17-14-10-12(15(16)20)7-9-18-14/h2-5,7,9-10H,6,8H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide?
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 24704732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).