3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one

C15H12N2O3S — CID 155525171

IUPAC3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
SMILESCCNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C15H12N2O3S/c1-2-16-15-17-8-12(21-15)13(18)10-7-9-5-3-4-6-11(9)20-14(10)19/h3-8H,2H2,1H3,(H,16,17)
InChIKeyVQWWPZAGUJXWAT-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.91
Rot. Bonds4

About 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one

3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one (PubChem CID 155525171) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
PubChem CID155525171
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
SMILESCCNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C15H12N2O3S/c1-2-16-15-17-8-12(21-15)13(18)10-7-9-5-3-4-6-11(9)20-14(10)19/h3-8H,2H2,1H3,(H,16,17)
InChIKeyVQWWPZAGUJXWAT-UHFFFAOYSA-N
XLogP2.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The IUPAC name of 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one (CID 155525171) is 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The canonical SMILES for 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one is CCNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1.
What is the InChIKey of 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The InChIKey is VQWWPZAGUJXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-2-16-15-17-8-12(21-15)13(18)10-7-9-5-3-4-6-11(9)20-14(10)19/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one has a molecular weight of 300.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-1,3-thiazole-5-carbonyl]chromen-2-one is sourced from PubChem (CID 155525171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).