1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C11H14N2O3S — CID 55171883

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H14N2O3S/c1-7-8(17-6-13-7)5-12-9(14)11(10(15)16)3-2-4-11/h6H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyLTCJWXDMLLYRBT-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.32
Rot. Bonds4

About 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55171883) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55171883
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H14N2O3S/c1-7-8(17-6-13-7)5-12-9(14)11(10(15)16)3-2-4-11/h6H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyLTCJWXDMLLYRBT-UHFFFAOYSA-N
XLogP1.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 55171883) is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1ncsc1CNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is LTCJWXDMLLYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-8(17-6-13-7)5-12-9(14)11(10(15)16)3-2-4-11/h6H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55171883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).