2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid

C11H19N3O2S — CID 54959823

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
SMILESCCN(CC)c1ncc(CNC(C)C(=O)O)s1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8(3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyFEANNXJPWZKPGP-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.55
Rot. Bonds7

About 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid (PubChem CID 54959823) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
PubChem CID54959823
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
SMILESCCN(CC)c1ncc(CNC(C)C(=O)O)s1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8(3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyFEANNXJPWZKPGP-UHFFFAOYSA-N
XLogP1.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide
CID 39794308
N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
CID 43766835
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 120913270
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
CID 62518572
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 78961443
N,N-diethyl-5-[[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
CID 93294400

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid (CID 54959823) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid is CCN(CC)c1ncc(CNC(C)C(=O)O)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid?
The InChIKey is FEANNXJPWZKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8(3)10(15)16/h7-8,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid has a molecular weight of 257.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid is sourced from PubChem (CID 54959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).