N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide

C19H14F2N2O3S — CID 59737950

IUPACN-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(=O)Nc3c(F)cccc3F)nc1CCO2
InChIInChI=1S/C19H14F2N2O3S/c1-25-10-5-6-15-11(9-10)17-14(7-8-26-15)22-19(27-17)18(24)23-16-12(20)3-2-4-13(16)21/h2-6,9H,7-8H2,1H3,(H,23,24)
InChIKeyLDGDLTHPRKXJHC-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.28
Rot. Bonds3

About N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide

N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide (PubChem CID 59737950) has the molecular formula C19H14F2N2O3S and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
PubChem CID59737950
Molecular FormulaC19H14F2N2O3S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC NameN-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(=O)Nc3c(F)cccc3F)nc1CCO2
InChIInChI=1S/C19H14F2N2O3S/c1-25-10-5-6-15-11(9-10)17-14(7-8-26-15)22-19(27-17)18(24)23-16-12(20)3-2-4-13(16)21/h2-6,9H,7-8H2,1H3,(H,23,24)
InChIKeyLDGDLTHPRKXJHC-UHFFFAOYSA-N
XLogP4.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-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-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide (CID 59737950) is N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide is COc1ccc2c(c1)-c1sc(C(=O)Nc3c(F)cccc3F)nc1CCO2.
What is the InChIKey of N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide?
The InChIKey is LDGDLTHPRKXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S/c1-25-10-5-6-15-11(9-10)17-14(7-8-26-15)22-19(27-17)18(24)23-16-12(20)3-2-4-13(16)21/h2-6,9H,7-8H2,1H3,(H,23,24).
What are the key properties of N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide?
N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 59737950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).