N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

C28H31N3O3S — CID 21048006

IUPACN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)sc2n1
InChIInChI=1S/C28H31N3O3S/c1-16-13-19-20(28(4,5)12-11-27(19,2)3)15-17(16)14-18-7-9-22(34-18)24(32)31-26-29-21-8-10-23(33-6)30-25(21)35-26/h7-10,13,15H,11-12,14H2,1-6H3,(H,29,31,32)
InChIKeyRXTPRTDIFYKQTB-UHFFFAOYSA-N
MW489.64 g/mol
LogP6.79
Rot. Bonds5

About N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (PubChem CID 21048006) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
PubChem CID21048006
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC NameN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)sc2n1
InChIInChI=1S/C28H31N3O3S/c1-16-13-19-20(28(4,5)12-11-27(19,2)3)15-17(16)14-18-7-9-22(34-18)24(32)31-26-29-21-8-10-23(33-6)30-25(21)35-26/h7-10,13,15H,11-12,14H2,1-6H3,(H,29,31,32)
InChIKeyRXTPRTDIFYKQTB-UHFFFAOYSA-N
XLogP6.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048002
N-(3,5-dimethoxy-2,6-dinitrophenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047595
N-(2-hydroxy-3,5-dimethylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047410
N-(2-cyano-4,5-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047296
N-(2,4-dichloro-6-methylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047138
methyl 3-hydroperoxy-4,5-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046556
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21045848
[3-hydroxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]phenyl] 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxylate
CID 21045565
methyl 4-cyano-3-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 21046564
N-(cyclohexylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048323
N-(1-benzylbenzimidazol-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046769

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (CID 21048006) is N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is COc1ccc2nc(NC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)sc2n1.
What is the InChIKey of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The InChIKey is RXTPRTDIFYKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-16-13-19-20(28(4,5)12-11-27(19,2)3)15-17(16)14-18-7-9-22(34-18)24(32)31-26-29-21-8-10-23(33-6)30-25(21)35-26/h7-10,13,15H,11-12,14H2,1-6H3,(H,29,31,32).
What are the key properties of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).