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

C11H18N2O2S — CID 65224618

IUPAC2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nc(CC)cs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-5-8(10(14)15)6-12-11-13-9(4-2)7-16-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYMCQUFSNJRPCIU-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.62
Rot. Bonds7

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

2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid (PubChem CID 65224618) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
PubChem CID65224618
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nc(CC)cs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-5-8(10(14)15)6-12-11-13-9(4-2)7-16-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYMCQUFSNJRPCIU-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid (CID 65224618) is 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid is CCCC(CNc1nc(CC)cs1)C(=O)O.
What is the InChIKey of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid?
The InChIKey is YMCQUFSNJRPCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-8(10(14)15)6-12-11-13-9(4-2)7-16-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid?
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65224618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).