3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid

C12H21N3O2S — CID 103487682

IUPAC3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCN(C)CCCN(C)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C12H21N3O2S/c1-14(2)7-4-8-15(3)12-13-10(9-18-12)5-6-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyGDRMBLDJJIHTEW-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.55
Rot. Bonds8

About 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid

3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103487682) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID103487682
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCN(C)CCCN(C)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C12H21N3O2S/c1-14(2)7-4-8-15(3)12-13-10(9-18-12)5-6-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyGDRMBLDJJIHTEW-UHFFFAOYSA-N
XLogP1.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]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

Related Compounds

3-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486086
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-methylamino]propanoic acid
CID 82179899
4-[(4-chloro-1,3-thiazol-2-yl)-methylamino]butanoic acid
CID 83153680
3-[2-[cyclohexylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487127
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
3-[2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487230
3-[2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486092

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid (CID 103487682) is 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid is CN(C)CCCN(C)c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is GDRMBLDJJIHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-14(2)7-4-8-15(3)12-13-10(9-18-12)5-6-11(16)17/h9H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 271.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103487682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).