3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid

C14H23N3O3S — CID 95508716

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
SMILESCc1nc(N(CCC(=O)O)CCN2CCOCC2)sc1C
InChIInChI=1S/C14H23N3O3S/c1-11-12(2)21-14(15-11)17(4-3-13(18)19)6-5-16-7-9-20-10-8-16/h3-10H2,1-2H3,(H,18,19)
InChIKeyWTVRHJMQBRALCV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.37
Rot. Bonds7

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid

3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid (PubChem CID 95508716) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
PubChem CID95508716
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
SMILESCc1nc(N(CCC(=O)O)CCN2CCOCC2)sc1C
InChIInChI=1S/C14H23N3O3S/c1-11-12(2)21-14(15-11)17(4-3-13(18)19)6-5-16-7-9-20-10-8-16/h3-10H2,1-2H3,(H,18,19)
InChIKeyWTVRHJMQBRALCV-UHFFFAOYSA-N
XLogP1.37
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid (CID 95508716) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid is Cc1nc(N(CCC(=O)O)CCN2CCOCC2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The InChIKey is WTVRHJMQBRALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-12(2)21-14(15-11)17(4-3-13(18)19)6-5-16-7-9-20-10-8-16/h3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid has a molecular weight of 313.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid is sourced from PubChem (CID 95508716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).