N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C23H22FN5O2S2 — CID 118618303

IUPACN-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)nc2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1
InChIInChI=1S/C23H22FN5O2S2/c24-20-6-3-16(14-26-20)15-1-4-17(5-2-15)27-21(30)18-13-19-22(32-18)28-23(33-19)25-7-8-29-9-11-31-12-10-29/h1-6,13-14H,7-12H2,(H,25,28)(H,27,30)
InChIKeyPSZGQPCAPUSPIX-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.56
Rot. Bonds7

About N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618303) has the molecular formula C23H22FN5O2S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618303
Molecular FormulaC23H22FN5O2S2
Molecular Weight483.59 g/mol
Exact Mass483.12
IUPAC NameN-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)nc2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1
InChIInChI=1S/C23H22FN5O2S2/c24-20-6-3-16(14-26-20)15-1-4-17(5-2-15)27-21(30)18-13-19-22(32-18)28-23(33-19)25-7-8-29-9-11-31-12-10-29/h1-6,13-14H,7-12H2,(H,25,28)(H,27,30)
InChIKeyPSZGQPCAPUSPIX-UHFFFAOYSA-N
XLogP4.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618303) is N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(-c2ccc(F)nc2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1.
What is the InChIKey of N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PSZGQPCAPUSPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S2/c24-20-6-3-16(14-26-20)15-1-4-17(5-2-15)27-21(30)18-13-19-22(32-18)28-23(33-19)25-7-8-29-9-11-31-12-10-29/h1-6,13-14H,7-12H2,(H,25,28)(H,27,30).
What are the key properties of N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).