N-cyclopentyloxy-1,3-thiazole-4-carboxamide

C9H12N2O2S — CID 83202530

IUPACN-cyclopentyloxy-1,3-thiazole-4-carboxamide
SMILESO=C(NOC1CCCC1)c1cscn1
InChIInChI=1S/C9H12N2O2S/c12-9(8-5-14-6-10-8)11-13-7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12)
InChIKeyWDMCJWWJPPCBLR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.75
Rot. Bonds3

About N-cyclopentyloxy-1,3-thiazole-4-carboxamide

N-cyclopentyloxy-1,3-thiazole-4-carboxamide (PubChem CID 83202530) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-cyclopentyloxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1,3-thiazole-4-carboxamide
PubChem CID83202530
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-cyclopentyloxy-1,3-thiazole-4-carboxamide
SMILESO=C(NOC1CCCC1)c1cscn1
InChIInChI=1S/C9H12N2O2S/c12-9(8-5-14-6-10-8)11-13-7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12)
InChIKeyWDMCJWWJPPCBLR-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyloxy-1,3-thiazole-4-carboxamide (CID 83202530) is N-cyclopentyloxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1,3-thiazole-4-carboxamide is O=C(NOC1CCCC1)c1cscn1.
What is the InChIKey of N-cyclopentyloxy-1,3-thiazole-4-carboxamide?
The InChIKey is WDMCJWWJPPCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(8-5-14-6-10-8)11-13-7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12).
What are the key properties of N-cyclopentyloxy-1,3-thiazole-4-carboxamide?
N-cyclopentyloxy-1,3-thiazole-4-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83202530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).