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

C13H14N2O3S — CID 64618291

IUPAC2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H14N2O3S/c16-12(17)4-9-5-15(6-9)7-10-8-19-13(14-10)11-2-1-3-18-11/h1-3,8-9H,4-7H2,(H,16,17)
InChIKeyNUINQRPWWWNZGC-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.31
Rot. Bonds5

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

2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid (PubChem CID 64618291) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
PubChem CID64618291
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C13H14N2O3S/c16-12(17)4-9-5-15(6-9)7-10-8-19-13(14-10)11-2-1-3-18-11/h1-3,8-9H,4-7H2,(H,16,17)
InChIKeyNUINQRPWWWNZGC-UHFFFAOYSA-N
XLogP2.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic 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

2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
1-[3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 166340267
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid (CID 64618291) is 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2csc(-c3ccco3)n2)C1.
What is the InChIKey of 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The InChIKey is NUINQRPWWWNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-12(17)4-9-5-15(6-9)7-10-8-19-13(14-10)11-2-1-3-18-11/h1-3,8-9H,4-7H2,(H,16,17).
What are the key properties of 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).