2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide

C20H16N2O3S — CID 7202864

IUPAC2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
SMILESCC(C)c1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1
InChIInChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(10-12)26-20(21-15)22-18(23)14-9-13-5-3-4-6-16(13)25-19(14)24/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNIGMIGBZNWOPDI-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.78
Rot. Bonds3

About 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide

2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide (PubChem CID 7202864) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
PubChem CID7202864
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
SMILESCC(C)c1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1
InChIInChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(10-12)26-20(21-15)22-18(23)14-9-13-5-3-4-6-16(13)25-19(14)24/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNIGMIGBZNWOPDI-UHFFFAOYSA-N
XLogP4.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202907
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide (CID 7202864) is 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide is CC(C)c1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1.
What is the InChIKey of 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
The InChIKey is NIGMIGBZNWOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-11(2)12-7-8-15-17(10-12)26-20(21-15)22-18(23)14-9-13-5-3-4-6-16(13)25-19(14)24/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide?
2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 7202864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).