5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide

C14H15N3OS — CID 115488550

IUPAC5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide
SMILESCOc1ccc(Nc2ccc(C(N)=S)nc2)c(C)c1
InChIInChI=1S/C14H15N3OS/c1-9-7-11(18-2)4-6-12(9)17-10-3-5-13(14(15)19)16-8-10/h3-8,17H,1-2H3,(H2,15,19)
InChIKeySBGCDVCGXQBWTD-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.78
Rot. Bonds4

About 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide

5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide (PubChem CID 115488550) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide
PubChem CID115488550
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide
SMILESCOc1ccc(Nc2ccc(C(N)=S)nc2)c(C)c1
InChIInChI=1S/C14H15N3OS/c1-9-7-11(18-2)4-6-12(9)17-10-3-5-13(14(15)19)16-8-10/h3-8,17H,1-2H3,(H2,15,19)
InChIKeySBGCDVCGXQBWTD-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.78
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

5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
5-(2,5-dimethylanilino)pyridine-2-carbothioamide
CID 115488139
5-(3,4-dimethoxyanilino)pyridine-2-carbothioamide
CID 115488099
5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767
5-(4-fluoro-3-methylanilino)pyridine-2-carbothioamide
CID 113320917
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 104641184
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide?
The IUPAC name of 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide (CID 115488550) is 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide is COc1ccc(Nc2ccc(C(N)=S)nc2)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide?
The InChIKey is SBGCDVCGXQBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-7-11(18-2)4-6-12(9)17-10-3-5-13(14(15)19)16-8-10/h3-8,17H,1-2H3,(H2,15,19).
What are the key properties of 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide?
5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide has a molecular weight of 273.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).