N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide

C23H15N3O3S — CID 87727212

IUPACN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide
SMILESNN(C(=O)c1ccc2ccccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C23H15N3O3S/c24-26(21(27)17-10-9-14-5-1-2-6-15(14)11-17)23-25-19(13-30-23)18-12-16-7-3-4-8-20(16)29-22(18)28/h1-13H,24H2
InChIKeyGXORGFUTLLCKAD-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide

N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide (PubChem CID 87727212) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide
PubChem CID87727212
Molecular FormulaC23H15N3O3S
Molecular Weight413.46 g/mol
Exact Mass413.08
IUPAC NameN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide
SMILESNN(C(=O)c1ccc2ccccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C23H15N3O3S/c24-26(21(27)17-10-9-14-5-1-2-6-15(14)11-17)23-25-19(13-30-23)18-12-16-7-3-4-8-20(16)29-22(18)28/h1-13H,24H2
InChIKeyGXORGFUTLLCKAD-UHFFFAOYSA-N
XLogP4.59
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide?
The IUPAC name of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide (CID 87727212) is N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide.
What is the SMILES notation for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide?
The canonical SMILES for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide is NN(C(=O)c1ccc2ccccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide?
The InChIKey is GXORGFUTLLCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S/c24-26(21(27)17-10-9-14-5-1-2-6-15(14)11-17)23-25-19(13-30-23)18-12-16-7-3-4-8-20(16)29-22(18)28/h1-13H,24H2.
What are the key properties of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide?
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide has a molecular weight of 413.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 87727212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).