5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide

C14H14ClN3OS — CID 103292610

IUPAC5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
SMILESCOc1cccc(Cl)c1CNc1ccc(C(N)=S)nc1
InChIInChI=1S/C14H14ClN3OS/c1-19-13-4-2-3-11(15)10(13)8-17-9-5-6-12(14(16)20)18-7-9/h2-7,17H,8H2,1H3,(H2,16,20)
InChIKeyPYWPYLDNZKONPC-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.99
Rot. Bonds5

About 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide

5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide (PubChem CID 103292610) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
PubChem CID103292610
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
SMILESCOc1cccc(Cl)c1CNc1ccc(C(N)=S)nc1
InChIInChI=1S/C14H14ClN3OS/c1-19-13-4-2-3-11(15)10(13)8-17-9-5-6-12(14(16)20)18-7-9/h2-7,17H,8H2,1H3,(H2,16,20)
InChIKeyPYWPYLDNZKONPC-UHFFFAOYSA-N
XLogP2.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.99
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-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
2-bromo-6-[(2-chloro-6-methoxyphenyl)methylamino]benzenecarbothioamide
CID 103292612
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
5-(3,4-dimethoxyanilino)pyridine-2-carbothioamide
CID 115488099
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide (CID 103292610) is 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide is COc1cccc(Cl)c1CNc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide?
The InChIKey is PYWPYLDNZKONPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-19-13-4-2-3-11(15)10(13)8-17-9-5-6-12(14(16)20)18-7-9/h2-7,17H,8H2,1H3,(H2,16,20).
What are the key properties of 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide?
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide has a molecular weight of 307.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 103292610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).