2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid

C12H14N2O3S — CID 82045100

IUPAC2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)C(c1ccco1)c1nc(CC(=O)O)cs1
InChIInChI=1S/C12H14N2O3S/c1-14(2)11(9-4-3-5-17-9)12-13-8(7-18-12)6-10(15)16/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyHFCCODZQZOSWPD-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82045100) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82045100
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)C(c1ccco1)c1nc(CC(=O)O)cs1
InChIInChI=1S/C12H14N2O3S/c1-14(2)11(9-4-3-5-17-9)12-13-8(7-18-12)6-10(15)16/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyHFCCODZQZOSWPD-UHFFFAOYSA-N
XLogP2.01
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026638
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 97085728
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 16793348
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915
2-[2-(1-hydroxyhexadecyl)-1,3-thiazol-4-yl]acetic acid
CID 123466520
2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 28777683
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301

Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid (CID 82045100) is 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid is CN(C)C(c1ccco1)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HFCCODZQZOSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-14(2)11(9-4-3-5-17-9)12-13-8(7-18-12)6-10(15)16/h3-5,7,11H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 266.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82045100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).