N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide

C17H17F4N5O4S — CID 176856885

IUPACN-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)nc2S1(=O)=O)C(F)F
InChIInChI=1S/C17H17F4N5O4S/c18-12(19)14(27)22-9-3-1-2-4-11(9)26-7-8-5-6-10(23-17(8)31(26,28)29)15-24-25-16(30-15)13(20)21/h5-6,9,11-13H,1-4,7H2,(H,22,27)/t9-,11-/m1/s1
InChIKeyDNVBVVXWXUKDGC-MWLCHTKSSA-N
MW463.41 g/mol
LogP2.27
Rot. Bonds5

About N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide

N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide (PubChem CID 176856885) has the molecular formula C17H17F4N5O4S and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide
PubChem CID176856885
Molecular FormulaC17H17F4N5O4S
Molecular Weight463.41 g/mol
Exact Mass463.09
IUPAC NameN-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)nc2S1(=O)=O)C(F)F
InChIInChI=1S/C17H17F4N5O4S/c18-12(19)14(27)22-9-3-1-2-4-11(9)26-7-8-5-6-10(23-17(8)31(26,28)29)15-24-25-16(30-15)13(20)21/h5-6,9,11-13H,1-4,7H2,(H,22,27)/t9-,11-/m1/s1
InChIKeyDNVBVVXWXUKDGC-MWLCHTKSSA-N
XLogP2.27
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide with MolForge

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Related Compounds

trans-(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 176856769
N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-1,2-benzothiazol-2-yl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 176856832
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
CID 138598484
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
CID 162611429
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,3,3,3-pentafluoropropanamide
CID 162611446
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]oxane-4-carboxamide
CID 138597976
cis-(1S,6R)-6-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-2,2-difluorocyclohexan-1-amine
CID 176856854
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-4,4-difluorobutanamide
CID 138598035
N-[(1R,2R)-2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 138598029
4-chloro-N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]benzamide
CID 162611440
tert-butyl N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]carbamate
CID 137472305
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide
CID 138598254

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide (CID 176856885) is N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide is O=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)nc2S1(=O)=O)C(F)F.
What is the InChIKey of N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide?
The InChIKey is DNVBVVXWXUKDGC-MWLCHTKSSA-N. The full InChI is InChI=1S/C17H17F4N5O4S/c18-12(19)14(27)22-9-3-1-2-4-11(9)26-7-8-5-6-10(23-17(8)31(26,28)29)15-24-25-16(30-15)13(20)21/h5-6,9,11-13H,1-4,7H2,(H,22,27)/t9-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide?
N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide has a molecular weight of 463.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,1-dioxo-3H-[1,2]thiazolo[5,4-b]pyridin-2-yl]cyclohexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 176856885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).