N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide

C14H19F2N3O2S — CID 128859220

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCOCC(F)(F)C3)nc21
InChIInChI=1S/C14H19F2N3O2S/c1-13(2)4-3-9-10(13)17-11(22-9)18-12(20)19-5-6-21-8-14(15,16)7-19/h3-8H2,1-2H3,(H,17,18,20)
InChIKeyAYYJAZSGLUNMOF-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.87
Rot. Bonds1

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide (PubChem CID 128859220) has the molecular formula C14H19F2N3O2S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
PubChem CID128859220
Molecular FormulaC14H19F2N3O2S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCOCC(F)(F)C3)nc21
InChIInChI=1S/C14H19F2N3O2S/c1-13(2)4-3-9-10(13)17-11(22-9)18-12(20)19-5-6-21-8-14(15,16)7-19/h3-8H2,1-2H3,(H,17,18,20)
InChIKeyAYYJAZSGLUNMOF-UHFFFAOYSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6,6-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-oxazepane-4-carboxamide
CID 132328472
1-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 136548408
1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-3-[(2R,3R)-2-methyloxolan-3-yl]urea
CID 128859240
N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864466
1-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
CID 128858593
1-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(oxan-4-yl)urea
CID 128858667
3-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 128858851
(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 128859223

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide (CID 128859220) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide is CC1(C)CCc2sc(NC(=O)N3CCOCC(F)(F)C3)nc21.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide?
The InChIKey is AYYJAZSGLUNMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2S/c1-13(2)4-3-9-10(13)17-11(22-9)18-12(20)19-5-6-21-8-14(15,16)7-19/h3-8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 128859220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).