N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide

C19H19N3OS — CID 3003145

IUPACN-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide
SMILESCC(C)Oc1ccccc1CNC(=S)c1ccc2cnccc2n1
InChIInChI=1S/C19H19N3OS/c1-13(2)23-18-6-4-3-5-15(18)12-21-19(24)17-8-7-14-11-20-10-9-16(14)22-17/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyAHFWEJMDNGPXGO-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide

N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide (PubChem CID 3003145) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide
PubChem CID3003145
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide
SMILESCC(C)Oc1ccccc1CNC(=S)c1ccc2cnccc2n1
InChIInChI=1S/C19H19N3OS/c1-13(2)23-18-6-4-3-5-15(18)12-21-19(24)17-8-7-14-11-20-10-9-16(14)22-17/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyAHFWEJMDNGPXGO-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-propoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 507350
8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 159646716
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide (CID 3003145) is N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide is CC(C)Oc1ccccc1CNC(=S)c1ccc2cnccc2n1.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide?
The InChIKey is AHFWEJMDNGPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(2)23-18-6-4-3-5-15(18)12-21-19(24)17-8-7-14-11-20-10-9-16(14)22-17/h3-11,13H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide?
N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide has a molecular weight of 337.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide is sourced from PubChem (CID 3003145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).