2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid

C11H18N2O2S — CID 83041635

IUPAC2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
SMILESCCCC(NC(CC)c1nccs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-5-9(11(14)15)13-8(4-2)10-12-6-7-16-10/h6-9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyDARDZPLTMMBPJC-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.44
Rot. Bonds7

About 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid

2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid (PubChem CID 83041635) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
PubChem CID83041635
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
SMILESCCCC(NC(CC)c1nccs1)C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-5-9(11(14)15)13-8(4-2)10-12-6-7-16-10/h6-9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyDARDZPLTMMBPJC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
2-[4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]phenyl]propanoic acid
CID 103253944
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
methyl (E)-3-[1-(1,3-thiazol-2-yl)propylamino]prop-2-enoate
CID 103253931
2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65224155
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid (CID 83041635) is 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid is CCCC(NC(CC)c1nccs1)C(=O)O.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The InChIKey is DARDZPLTMMBPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-9(11(14)15)13-8(4-2)10-12-6-7-16-10/h6-9,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid is sourced from PubChem (CID 83041635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).