3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid

C11H18N2O2S — CID 103486149

IUPAC3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCCCN(CC)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-7-13(4-2)11-12-9(8-16-11)5-6-10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyWGFNNUOPNKGENL-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.40
Rot. Bonds7

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

3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103486149) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID103486149
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCCCN(CC)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-7-13(4-2)11-12-9(8-16-11)5-6-10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyWGFNNUOPNKGENL-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487682
2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 112752467
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
N-(2-chloroethyl)-N,4-diethyl-1,3-thiazol-2-amine
CID 63392590
3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103486807

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid (CID 103486149) is 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid is CCCN(CC)c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is WGFNNUOPNKGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-7-13(4-2)11-12-9(8-16-11)5-6-10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103486149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).