N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

C24H27N3O3S — CID 54752786

IUPACN-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1
InChIInChI=1S/C24H27N3O3S/c28-23(25-17-19-4-2-1-3-5-19)16-21-18-31-24(26-21)20-6-8-22(9-7-20)30-15-12-27-10-13-29-14-11-27/h1-9,18H,10-17H2,(H,25,28)
InChIKeyWOOXRNLCCADTBR-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.38
Rot. Bonds9

About N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 54752786) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID54752786
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1
InChIInChI=1S/C24H27N3O3S/c28-23(25-17-19-4-2-1-3-5-19)16-21-18-31-24(26-21)20-6-8-22(9-7-20)30-15-12-27-10-13-29-14-11-27/h1-9,18H,10-17H2,(H,25,28)
InChIKeyWOOXRNLCCADTBR-UHFFFAOYSA-N
XLogP3.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
(S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217513
[4-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 68497905
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (CID 54752786) is N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is WOOXRNLCCADTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-23(25-17-19-4-2-1-3-5-19)16-21-18-31-24(26-21)20-6-8-22(9-7-20)30-15-12-27-10-13-29-14-11-27/h1-9,18H,10-17H2,(H,25,28).
What are the key properties of N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 54752786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).