molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline

C19H26N4OS — CID 144697556

IUPACmolecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCSCC2)c1)c1cc(OC(C)C)ccc1N.[H][H]
InChIInChI=1S/C19H24N4OS.H2/c1-13(2)24-15-3-4-17(20)16(12-15)19(21)14-5-6-22-18(11-14)23-7-9-25-10-8-23;/h3-6,11-13,21H,7-10,20H2,1-2H3;1H/b21-19+;
InChIKeyQPGCWMUMLWQLDU-UXJRWBAGSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds5

About molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline

molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline (PubChem CID 144697556) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Namemolecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
PubChem CID144697556
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namemolecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCSCC2)c1)c1cc(OC(C)C)ccc1N.[H][H]
InChIInChI=1S/C19H24N4OS.H2/c1-13(2)24-15-3-4-17(20)16(12-15)19(21)14-5-6-22-18(11-14)23-7-9-25-10-8-23;/h3-6,11-13,21H,7-10,20H2,1-2H3;1H/b21-19+;
InChIKeyQPGCWMUMLWQLDU-UXJRWBAGSA-N
XLogP3.67
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline 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

2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
methane;molecular hydrogen;4-propan-2-yloxy-2-(3-thiomorpholin-4-yl-1H-pyrazole-5-carboximidoyl)aniline;hydrate
CID 144697179
2-[2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123733970
N-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]hydroxylamine
CID 144697614
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-(6-thiomorpholin-4-ylpyridine-3-carboximidoyl)aniline
CID 164566041
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
CID 144795250

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline?
The IUPAC name of molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline (CID 144697556) is molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline.
What is the SMILES notation for molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline?
The canonical SMILES for molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline is [H]/N=C(\c1ccnc(N2CCSCC2)c1)c1cc(OC(C)C)ccc1N.[H][H].
What is the InChIKey of molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline?
The InChIKey is QPGCWMUMLWQLDU-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H24N4OS.H2/c1-13(2)24-15-3-4-17(20)16(12-15)19(21)14-5-6-22-18(11-14)23-7-9-25-10-8-23;/h3-6,11-13,21H,7-10,20H2,1-2H3;1H/b21-19+;.
What are the key properties of molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline?
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline has a molecular weight of 358.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 144697556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).