N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide

C17H21N3O2S — CID 164610891

IUPACN-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3O2S/c21-16(18-7-4-8-20-9-11-22-12-10-20)15-13-19-17(23-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21)
InChIKeyOLTXEYUNNONJGI-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.26
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 164610891) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID164610891
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3O2S/c21-16(18-7-4-8-20-9-11-22-12-10-20)15-13-19-17(23-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21)
InChIKeyOLTXEYUNNONJGI-UHFFFAOYSA-N
XLogP2.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-Phenylethynyl-thiazol-5-yl)-piperidin-1-yl-methanone
CID 51049976
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626673
US10343992, Example 71
CID 122590394
US10343992, Example 72
CID 122590506
N-(3,4-difluorobenzyl)-3-[1-(1,3-thiazol-5-ylcarbonyl)piperidin-3-yl]propanamide
CID 16191726
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
Morpholin-4-yl-(2-naphthalen-1-yl-1,3-thiazol-5-yl)methanone
CID 137645858
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164617757

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 164610891) is N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OLTXEYUNNONJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(18-7-4-8-20-9-11-22-12-10-20)15-13-19-17(23-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164610891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).