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

C12H20N2O2S — CID 65054987

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-5-6-10(12(15)16)14-8(3)11-7(2)13-9(4)17-11/h8,10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyITQXDZKGBLLCDH-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.66
Rot. Bonds6

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

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid (PubChem CID 65054987) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
PubChem CID65054987
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-5-6-10(12(15)16)14-8(3)11-7(2)13-9(4)17-11/h8,10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyITQXDZKGBLLCDH-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-methylbutanoic acid
CID 79391642
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757573
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
methyl (2S)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutanoate
CID 63752427
2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
CID 65055851
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 82238393
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 79801901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid (CID 65054987) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid is CCCC(NC(C)c1sc(C)nc1C)C(=O)O.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
The InChIKey is ITQXDZKGBLLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-6-10(12(15)16)14-8(3)11-7(2)13-9(4)17-11/h8,10,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid has a molecular weight of 256.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 65054987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).