3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one

C17H15N3O2S — CID 698945

IUPAC3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1
InChIInChI=1S/C17H15N3O2S/c21-16-13(9-11-5-1-4-8-15(11)22-16)14-10-23-17(18-14)20-19-12-6-2-3-7-12/h1,4-5,8-10H,2-3,6-7H2,(H,18,20)
InChIKeySXHHQYKEDCRGGT-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.26
Rot. Bonds3

About 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one

3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 698945) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID698945
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1
InChIInChI=1S/C17H15N3O2S/c21-16-13(9-11-5-1-4-8-15(11)22-16)14-10-23-17(18-14)20-19-12-6-2-3-7-12/h1,4-5,8-10H,2-3,6-7H2,(H,18,20)
InChIKeySXHHQYKEDCRGGT-UHFFFAOYSA-N
XLogP4.26
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one (CID 698945) is 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1.
What is the InChIKey of 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is SXHHQYKEDCRGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16-13(9-11-5-1-4-8-15(11)22-16)14-10-23-17(18-14)20-19-12-6-2-3-7-12/h1,4-5,8-10H,2-3,6-7H2,(H,18,20).
What are the key properties of 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 325.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 698945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).