2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide

C13H15N3OS2 — CID 114768080

IUPAC2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCc2scnc2C)n1
InChIInChI=1S/C13H15N3OS2/c1-8-5-10(13(14)18)6-12(16-8)17-4-3-11-9(2)15-7-19-11/h5-7H,3-4H2,1-2H3,(H2,14,18)
InChIKeyDYGFWHKGNYVUHV-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.41
Rot. Bonds5

About 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide

2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide (PubChem CID 114768080) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
PubChem CID114768080
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(OCCc2scnc2C)n1
InChIInChI=1S/C13H15N3OS2/c1-8-5-10(13(14)18)6-12(16-8)17-4-3-11-9(2)15-7-19-11/h5-7H,3-4H2,1-2H3,(H2,14,18)
InChIKeyDYGFWHKGNYVUHV-UHFFFAOYSA-N
XLogP2.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 24692502
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-methyl-6-(2-propan-2-yloxyethoxy)pyridine-4-carbothioamide
CID 114768076
5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
CID 61097252
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965282
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 55181570
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methanol
CID 107373137
2-(cyclohexylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide (CID 114768080) is 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(OCCc2scnc2C)n1.
What is the InChIKey of 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
The InChIKey is DYGFWHKGNYVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-5-10(13(14)18)6-12(16-8)17-4-3-11-9(2)15-7-19-11/h5-7H,3-4H2,1-2H3,(H2,14,18).
What are the key properties of 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide?
2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide has a molecular weight of 293.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide is sourced from PubChem (CID 114768080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).