methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate

C15H24N2O2S — CID 80709452

IUPACmethyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCCc1nc(CN(CC(=O)OC)C2CCCC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)9-17(10-15(18)19-2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3
InChIKeyHEXVACZFEXVYRL-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate (PubChem CID 80709452) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
PubChem CID80709452
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCCc1nc(CN(CC(=O)OC)C2CCCC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)9-17(10-15(18)19-2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3
InChIKeyHEXVACZFEXVYRL-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
CID 71849580
4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79116301
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86919880
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
4-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
CID 115536867
4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66245104
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
2-[prop-2-enyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 79275716

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate (CID 80709452) is methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate is CCCc1nc(CN(CC(=O)OC)C2CCCC2)cs1.
What is the InChIKey of methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The InChIKey is HEXVACZFEXVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-6-14-16-12(11-20-14)9-17(10-15(18)19-2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate has a molecular weight of 296.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate is sourced from PubChem (CID 80709452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).