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

C17H10N2O3S — CID 4560620

IUPACN-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H10N2O3S/c20-12-9-14(22-13-7-3-1-5-10(12)13)16(21)19-17-18-11-6-2-4-8-15(11)23-17/h1-9H,(H,18,19,21)
InChIKeyLJJITSQRKQKUBE-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.65
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4560620) has the molecular formula C17H10N2O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4560620
Molecular FormulaC17H10N2O3S
Molecular Weight322.35 g/mol
Exact Mass322.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H10N2O3S/c20-12-9-14(22-13-7-3-1-5-10(12)13)16(21)19-17-18-11-6-2-4-8-15(11)23-17/h1-9H,(H,18,19,21)
InChIKeyLJJITSQRKQKUBE-UHFFFAOYSA-N
XLogP3.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4560620) is N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is LJJITSQRKQKUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3S/c20-12-9-14(22-13-7-3-1-5-10(12)13)16(21)19-17-18-11-6-2-4-8-15(11)23-17/h1-9H,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4560620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).