N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C21H21Cl2N5O2S — CID 68881813

IUPACN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cnccn2)n1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C21H21Cl2N5O2S/c22-17-2-1-14(7-18(17)23)11-28-5-6-30-16(12-28)9-26-20(29)8-15-13-31-21(27-15)19-10-24-3-4-25-19/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,26,29)/t16-/m0/s1
InChIKeyQGTYZRPBYGXMID-INIZCTEOSA-N
MW478.41 g/mol
LogP3.47
Rot. Bonds7

About N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 68881813) has the molecular formula C21H21Cl2N5O2S and a molecular weight of 478.41 g/mol. Its IUPAC name is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID68881813
Molecular FormulaC21H21Cl2N5O2S
Molecular Weight478.41 g/mol
Exact Mass477.08
IUPAC NameN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cnccn2)n1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C21H21Cl2N5O2S/c22-17-2-1-14(7-18(17)23)11-28-5-6-30-16(12-28)9-26-20(29)8-15-13-31-21(27-15)19-10-24-3-4-25-19/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,26,29)/t16-/m0/s1
InChIKeyQGTYZRPBYGXMID-INIZCTEOSA-N
XLogP3.47
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-hydroxy-4-oxopyran-2-yl)acetamide
CID 142811416
N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24640675
4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]sulfanyl]-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]butanamide;hydrochloride
CID 67168889
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 85330039
2-[2-[2-[[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 59009172
5-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]furan-2-carboxylic acid;N,N-diethylethanamine
CID 10392176
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 67170018
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylsulfanylacetamide
CID 67169478
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-pyridin-4-ylthiophen-2-yl)sulfanylacetamide
CID 59009237

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 68881813) is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cnccn2)n1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QGTYZRPBYGXMID-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S/c22-17-2-1-14(7-18(17)23)11-28-5-6-30-16(12-28)9-26-20(29)8-15-13-31-21(27-15)19-10-24-3-4-25-19/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,26,29)/t16-/m0/s1.
What are the key properties of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 478.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 68881813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).