2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid

C11H18N2O2S — CID 62071360

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1scnc1C)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-4-9(11(14)15)12-6-5-10-8(2)13-7-16-10/h7,9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyNTGIFUZHVAJJOU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.84
Rot. Bonds7

About 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid

2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid (PubChem CID 62071360) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
PubChem CID62071360
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1scnc1C)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-4-9(11(14)15)12-6-5-10-8(2)13-7-16-10/h7,9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyNTGIFUZHVAJJOU-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid
CID 122070083
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
tert-butyl N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253463
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
(2S)-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]butanoic acid
CID 122069093
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 114004588
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid (CID 62071360) is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid is CCCC(NCCc1scnc1C)C(=O)O.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The InChIKey is NTGIFUZHVAJJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-4-9(11(14)15)12-6-5-10-8(2)13-7-16-10/h7,9,12H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 62071360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).