methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate

C20H18ClN3O3S — CID 55802881

IUPACmethyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H18ClN3O3S/c1-27-19(26)12-24(11-14-4-6-16(21)7-5-14)18(25)9-17-13-28-20(23-17)15-3-2-8-22-10-15/h2-8,10,13H,9,11-12H2,1H3
InChIKeyXWRWYYOLQNAYNC-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.60
Rot. Bonds7

About methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate

methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate (PubChem CID 55802881) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
PubChem CID55802881
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H18ClN3O3S/c1-27-19(26)12-24(11-14-4-6-16(21)7-5-14)18(25)9-17-13-28-20(23-17)15-3-2-8-22-10-15/h2-8,10,13H,9,11-12H2,1H3
InChIKeyXWRWYYOLQNAYNC-UHFFFAOYSA-N
XLogP3.60
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate with MolForge

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120649145
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580499
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60573524
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 18189786
2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 119955179
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134054605
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate (CID 55802881) is methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The InChIKey is XWRWYYOLQNAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-27-19(26)12-24(11-14-4-6-16(21)7-5-14)18(25)9-17-13-28-20(23-17)15-3-2-8-22-10-15/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate has a molecular weight of 415.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 55802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).