N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide

C18H11FN2O4S — CID 54583626

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H11FN2O4S/c19-10-1-4-13-15(7-10)26-18(20-13)21-16(23)5-9-6-17(24)25-14-8-11(22)2-3-12(9)14/h1-4,6-8,22H,5H2,(H,20,21,23)
InChIKeyHIRWNQDRGAWMQZ-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.43
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide (PubChem CID 54583626) has the molecular formula C18H11FN2O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
PubChem CID54583626
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H11FN2O4S/c19-10-1-4-13-15(7-10)26-18(20-13)21-16(23)5-9-6-17(24)25-14-8-11(22)2-3-12(9)14/h1-4,6-8,22H,5H2,(H,20,21,23)
InChIKeyHIRWNQDRGAWMQZ-UHFFFAOYSA-N
XLogP3.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
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 N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide (CID 54583626) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide is O=C(Cc1cc(=O)oc2cc(O)ccc12)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide?
The InChIKey is HIRWNQDRGAWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c19-10-1-4-13-15(7-10)26-18(20-13)21-16(23)5-9-6-17(24)25-14-8-11(22)2-3-12(9)14/h1-4,6-8,22H,5H2,(H,20,21,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide has a molecular weight of 370.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(7-hydroxy-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 54583626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).