2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid

C12H19N3O3S — CID 80575536

IUPAC2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c16-11(17)8-10-9-19-12(14-10)13-2-1-3-15-4-6-18-7-5-15/h9H,1-8H2,(H,13,14)(H,16,17)
InChIKeyCFJRHZFMPRROIP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575536) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80575536
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c16-11(17)8-10-9-19-12(14-10)13-2-1-3-15-4-6-18-7-5-15/h9H,1-8H2,(H,13,14)(H,16,17)
InChIKeyCFJRHZFMPRROIP-UHFFFAOYSA-N
XLogP0.90
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524
N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3437555
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
2-[2-[[(E)-18-oxooctadec-9-enyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 173274566
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110450729
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid (CID 80575536) is 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCCCN2CCOCC2)n1.
What is the InChIKey of 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CFJRHZFMPRROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-11(17)8-10-9-19-12(14-10)13-2-1-3-15-4-6-18-7-5-15/h9H,1-8H2,(H,13,14)(H,16,17).
What are the key properties of 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).