2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide

C14H15N3OS — CID 114768153

IUPAC2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCc2ccccn2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(14(15)19)9-13(17-10)18-7-5-12-4-2-3-6-16-12/h2-4,6,8-9H,5,7H2,1H3,(H2,15,19)
InChIKeyOPYWLOLVTXMKHV-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide

2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide (PubChem CID 114768153) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
PubChem CID114768153
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCc2ccccn2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(14(15)19)9-13(17-10)18-7-5-12-4-2-3-6-16-12/h2-4,6,8-9H,5,7H2,1H3,(H2,15,19)
InChIKeyOPYWLOLVTXMKHV-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
CID 114768076
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542547
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
CID 23380582
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide (CID 114768153) is 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(OCCc2ccccn2)n1.
What is the InChIKey of 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide?
The InChIKey is OPYWLOLVTXMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-8-11(14(15)19)9-13(17-10)18-7-5-12-4-2-3-6-16-12/h2-4,6,8-9H,5,7H2,1H3,(H2,15,19).
What are the key properties of 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide?
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide has a molecular weight of 273.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 114768153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).