(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C21H28N4O3S — CID 53158740

IUPAC(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-2-28-19-5-3-17(4-6-19)20(26)24-7-9-25(10-8-24)21-22-18(16-29-21)15-23-11-13-27-14-12-23/h3-6,16H,2,7-15H2,1H3
InChIKeyYRXVKTKRTASYEK-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.34
Rot. Bonds6

About (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158740) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158740
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-2-28-19-5-3-17(4-6-19)20(26)24-7-9-25(10-8-24)21-22-18(16-29-21)15-23-11-13-27-14-12-23/h3-6,16H,2,7-15H2,1H3
InChIKeyYRXVKTKRTASYEK-UHFFFAOYSA-N
XLogP2.34
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 60162437
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
CID 3170657
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 3170664
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
2-Fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-benzamide
CID 3170719
N-(3-Diethylamino-propyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-3-methyl-benzamide
CID 3170752
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 14962267
N-(4-(2-((4-fluorobenzyl)amino)-2-oxoethyl)thiazol-2-yl)-4-methoxybenzamide
CID 18567955

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158740) is (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is YRXVKTKRTASYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-2-28-19-5-3-17(4-6-19)20(26)24-7-9-25(10-8-24)21-22-18(16-29-21)15-23-11-13-27-14-12-23/h3-6,16H,2,7-15H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 416.55 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).