2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

C10H16N2O2S — CID 94260388

IUPAC2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)NCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)11-4-3-9-12-8(6-15-9)5-10(13)14/h6-7,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyXIUGOQQKLBIQSL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 94260388) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID94260388
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)NCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)11-4-3-9-12-8(6-15-9)5-10(13)14/h6-7,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyXIUGOQQKLBIQSL-UHFFFAOYSA-N
XLogP1.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
2-[2-[2-[3-(dimethylamino)propylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123896
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid chloride
CID 82032178
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate
CID 82103021
2-[2-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159513
2-[2-[2-(1,3-dihydroisoindole-2-carbonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 166279122
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146092987

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 94260388) is 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is CC(C)NCCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XIUGOQQKLBIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)11-4-3-9-12-8(6-15-9)5-10(13)14/h6-7,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 228.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 94260388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).