N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C20H21N3O2S2 — CID 9150618

IUPACN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C20H21N3O2S2/c24-19(18-14-27-20(22-18)16-6-11-26-13-16)21-17(15-4-2-1-3-5-15)12-23-7-9-25-10-8-23/h1-6,11,13-14,17H,7-10,12H2,(H,21,24)/t17-/m0/s1
InChIKeyRETKXRPZDYWHJM-KRWDZBQOSA-N
MW399.54 g/mol
LogP3.67
Rot. Bonds6

About N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 9150618) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID9150618
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C20H21N3O2S2/c24-19(18-14-27-20(22-18)16-6-11-26-13-16)21-17(15-4-2-1-3-5-15)12-23-7-9-25-10-8-23/h1-6,11,13-14,17H,7-10,12H2,(H,21,24)/t17-/m0/s1
InChIKeyRETKXRPZDYWHJM-KRWDZBQOSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-(2-morpholin-4-yl-1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 120640463
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 45132972
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17475827
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 122194915
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 9150618) is N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RETKXRPZDYWHJM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c24-19(18-14-27-20(22-18)16-6-11-26-13-16)21-17(15-4-2-1-3-5-15)12-23-7-9-25-10-8-23/h1-6,11,13-14,17H,7-10,12H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9150618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).