N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide

C19H13FN2O3S — CID 4898416

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(F)cc4s3)oc2c1
InChIInChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-13(23)8-15(25-14(17)6-9)18(24)22-19-21-12-4-3-11(20)7-16(12)26-19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyCUNHRGPROPEHDD-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.41
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 4898416) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide
PubChem CID4898416
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(F)cc4s3)oc2c1
InChIInChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-13(23)8-15(25-14(17)6-9)18(24)22-19-21-12-4-3-11(20)7-16(12)26-19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyCUNHRGPROPEHDD-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-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-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide (CID 4898416) is N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(F)cc4s3)oc2c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is CUNHRGPROPEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c1-9-5-10(2)17-13(23)8-15(25-14(17)6-9)18(24)22-19-21-12-4-3-11(20)7-16(12)26-19/h3-8H,1-2H3,(H,21,22,24).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4898416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).