N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide

C21H27N3O3S — CID 90607241

IUPACN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccccc2)n1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C21H27N3O3S/c25-21(19-16-28-20(22-19)17-4-2-1-3-5-17)24(18-6-12-26-13-7-18)9-8-23-10-14-27-15-11-23/h1-5,16,18H,6-15H2
InChIKeyNKTYSDAISIGZPU-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.76
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 90607241) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID90607241
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccccc2)n1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C21H27N3O3S/c25-21(19-16-28-20(22-19)17-4-2-1-3-5-17)24(18-6-12-26-13-7-18)9-8-23-10-14-27-15-11-23/h1-5,16,18H,6-15H2
InChIKeyNKTYSDAISIGZPU-UHFFFAOYSA-N
XLogP2.76
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
CID 90607272
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 122146301
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
CID 90607257
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea
CID 90607460
N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99640785

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 90607241) is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccccc2)n1)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NKTYSDAISIGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-21(19-16-28-20(22-19)17-4-2-1-3-5-17)24(18-6-12-26-13-7-18)9-8-23-10-14-27-15-11-23/h1-5,16,18H,6-15H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90607241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).