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

C11H18N2O2S — CID 83041636

IUPAC2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1nc(C)cs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-4-5-9(11(14)15)13-8(3)10-12-7(2)6-16-10/h6,8-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyFYXLZAOOBZHUDA-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.36
Rot. Bonds6

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

2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid (PubChem CID 83041636) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
PubChem CID83041636
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1nc(C)cs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-4-5-9(11(14)15)13-8(3)10-12-7(2)6-16-10/h6,8-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyFYXLZAOOBZHUDA-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
2-[1-(pentan-2-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 107886517
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 65054987
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid (CID 83041636) is 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid is CCCC(NC(C)c1nc(C)cs1)C(=O)O.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The InChIKey is FYXLZAOOBZHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-5-9(11(14)15)13-8(3)10-12-7(2)6-16-10/h6,8-9,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 83041636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).