N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide

C17H11N3O3S — CID 135497982

IUPACN-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H11N3O3S/c18-15-11(7-9-5-6-10(21)8-13(9)23-15)16(22)20-17-19-12-3-1-2-4-14(12)24-17/h1-8,18,21H,(H,19,20,22)/b18-15-
InChIKeyIMESAHYFMKGJJU-SDXDJHTJSA-N
MW337.36 g/mol
LogP3.48
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide

N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide (PubChem CID 135497982) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide
PubChem CID135497982
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H11N3O3S/c18-15-11(7-9-5-6-10(21)8-13(9)23-15)16(22)20-17-19-12-3-1-2-4-14(12)24-17/h1-8,18,21H,(H,19,20,22)/b18-15-
InChIKeyIMESAHYFMKGJJU-SDXDJHTJSA-N
XLogP3.48
TPSA99.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide (CID 135497982) is N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide?
The InChIKey is IMESAHYFMKGJJU-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H11N3O3S/c18-15-11(7-9-5-6-10(21)8-13(9)23-15)16(22)20-17-19-12-3-1-2-4-14(12)24-17/h1-8,18,21H,(H,19,20,22)/b18-15-.
What are the key properties of N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-7-hydroxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135497982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).