methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate

C20H25N3O3S — CID 71849580

IUPACmethyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-26-19(24)13-23(17-9-5-6-10-17)12-16-14-27-18(22-16)11-21-20(25)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,21,25)
InChIKeyNEJFJTLPFVPWDX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.99
Rot. Bonds8

About methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate

methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate (PubChem CID 71849580) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
PubChem CID71849580
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Namemethyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-26-19(24)13-23(17-9-5-6-10-17)12-16-14-27-18(22-16)11-21-20(25)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,21,25)
InChIKeyNEJFJTLPFVPWDX-UHFFFAOYSA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 80709452
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 86818587
N-benzyl-2-[4-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 17499279
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56813193
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
N-[[4-[[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 139008815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate (CID 71849580) is methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate is COC(=O)CN(Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1.
What is the InChIKey of methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate?
The InChIKey is NEJFJTLPFVPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-26-19(24)13-23(17-9-5-6-10-17)12-16-14-27-18(22-16)11-21-20(25)15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,21,25).
What are the key properties of methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate?
methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate has a molecular weight of 387.51 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate is sourced from PubChem (CID 71849580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).