1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C13H15N3O3S — CID 81158589

IUPAC1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCc1cn2c(CC(=O)NC3(C(=O)O)CCC3)csc2n1
InChIInChI=1S/C13H15N3O3S/c1-8-6-16-9(7-20-12(16)14-8)5-10(17)15-13(11(18)19)3-2-4-13/h6-7H,2-5H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAYQVZWHLPXCNN-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.37
Rot. Bonds4

About 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158589) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158589
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCc1cn2c(CC(=O)NC3(C(=O)O)CCC3)csc2n1
InChIInChI=1S/C13H15N3O3S/c1-8-6-16-9(7-20-12(16)14-8)5-10(17)15-13(11(18)19)3-2-4-13/h6-7H,2-5H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAYQVZWHLPXCNN-UHFFFAOYSA-N
XLogP1.37
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81158589) is 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid is Cc1cn2c(CC(=O)NC3(C(=O)O)CCC3)csc2n1.
What is the InChIKey of 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is PAYQVZWHLPXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-6-16-9(7-20-12(16)14-8)5-10(17)15-13(11(18)19)3-2-4-13/h6-7H,2-5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).