4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid

C14H20N2O4S — CID 80655149

IUPAC4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)CCC2CCCO2)n1
InChIInChI=1S/C14H20N2O4S/c17-12(7-6-11-4-2-8-20-11)16-14-15-10(9-21-14)3-1-5-13(18)19/h9,11H,1-8H2,(H,18,19)(H,15,16,17)
InChIKeyTWQWOEYHRBVILS-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.45
Rot. Bonds8

About 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid

4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655149) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655149
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)CCC2CCCO2)n1
InChIInChI=1S/C14H20N2O4S/c17-12(7-6-11-4-2-8-20-11)16-14-15-10(9-21-14)3-1-5-13(18)19/h9,11H,1-8H2,(H,18,19)(H,15,16,17)
InChIKeyTWQWOEYHRBVILS-UHFFFAOYSA-N
XLogP2.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
CID 65155393
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
4-[2-(pent-4-ynoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 114028540
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 75402955
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 51937676

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid (CID 80655149) is 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)CCC2CCCO2)n1.
What is the InChIKey of 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is TWQWOEYHRBVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-12(7-6-11-4-2-8-20-11)16-14-15-10(9-21-14)3-1-5-13(18)19/h9,11H,1-8H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid?
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 312.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).