N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide

C19H14N2O3S — CID 4106571

IUPACN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-2-21-14-8-4-6-10-16(14)25-19(21)20-18(23)13-11-24-15-9-5-3-7-12(15)17(13)22/h3-11H,2H2,1H3/b20-19-
InChIKeyRUWRVSPLDKABFK-VXPUYCOJSA-N
MW350.40 g/mol
LogP3.57
Rot. Bonds2

About N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide

N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide (PubChem CID 4106571) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
PubChem CID4106571
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-2-21-14-8-4-6-10-16(14)25-19(21)20-18(23)13-11-24-15-9-5-3-7-12(15)17(13)22/h3-11H,2H2,1H3/b20-19-
InChIKeyRUWRVSPLDKABFK-VXPUYCOJSA-N
XLogP3.57
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide (CID 4106571) is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide is CCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21.
What is the InChIKey of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
The InChIKey is RUWRVSPLDKABFK-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-2-21-14-8-4-6-10-16(14)25-19(21)20-18(23)13-11-24-15-9-5-3-7-12(15)17(13)22/h3-11H,2H2,1H3/b20-19-.
What are the key properties of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide?
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4106571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).