2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid

C14H14N2O3S2 — CID 64605186

IUPAC2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H14N2O3S2/c17-12(16-5-9(6-16)3-13(18)19)4-11-8-21-14(15-11)10-1-2-20-7-10/h1-2,7-9H,3-6H2,(H,18,19)
InChIKeyFYURSNLITRJQNR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.35
Rot. Bonds5

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

2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64605186) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
PubChem CID64605186
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H14N2O3S2/c17-12(16-5-9(6-16)3-13(18)19)4-11-8-21-14(15-11)10-1-2-20-7-10/h1-2,7-9H,3-6H2,(H,18,19)
InChIKeyFYURSNLITRJQNR-UHFFFAOYSA-N
XLogP2.35
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 64603163
1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-1,4-diazepan-5-one
CID 62047463
1-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 95974733
N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 17444952
1-(1,2-oxazolidin-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 113375701
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 46470794
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 38385321
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 26782988
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 31794244
2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456166

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid (CID 64605186) is 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Cc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is FYURSNLITRJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-12(16-5-9(6-16)3-13(18)19)4-11-8-21-14(15-11)10-1-2-20-7-10/h1-2,7-9H,3-6H2,(H,18,19).
What are the key properties of 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).