2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 117081007

IUPAC2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)c1
InChIInChI=1S/C16H20N4O2S/c17-13-3-1-2-12(10-13)16-19-14(11-23-16)15(21)18-4-5-20-6-8-22-9-7-20/h1-3,10-11H,4-9,17H2,(H,18,21)
InChIKeyXIIWXQDOBZOBKW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.45
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 117081007) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID117081007
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)c1
InChIInChI=1S/C16H20N4O2S/c17-13-3-1-2-12(10-13)16-19-14(11-23-16)15(21)18-4-5-20-6-8-22-9-7-20/h1-3,10-11H,4-9,17H2,(H,18,21)
InChIKeyXIIWXQDOBZOBKW-UHFFFAOYSA-N
XLogP1.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (CID 117081007) is 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is Nc1cccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XIIWXQDOBZOBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-13-3-1-2-12(10-13)16-19-14(11-23-16)15(21)18-4-5-20-6-8-22-9-7-20/h1-3,10-11H,4-9,17H2,(H,18,21).
What are the key properties of 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117081007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).