tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate

C25H32N4O4S — CID 66688377

IUPACtert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
SMILESCc1nc(C(=O)Nc2ccc3c(c2)C2(CCSC(NC(=O)OC(C)(C)C)=N2)CC(C)(C)C3)co1
InChIInChI=1S/C25H32N4O4S/c1-15-26-19(13-32-15)20(30)27-17-8-7-16-12-24(5,6)14-25(18(16)11-17)9-10-34-21(29-25)28-22(31)33-23(2,3)4/h7-8,11,13H,9-10,12,14H2,1-6H3,(H,27,30)(H,28,29,31)
InChIKeyQZMTZJTZLQMWJN-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.42
Rot. Bonds2

About tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate

tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate (PubChem CID 66688377) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
PubChem CID66688377
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Nametert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
SMILESCc1nc(C(=O)Nc2ccc3c(c2)C2(CCSC(NC(=O)OC(C)(C)C)=N2)CC(C)(C)C3)co1
InChIInChI=1S/C25H32N4O4S/c1-15-26-19(13-32-15)20(30)27-17-8-7-16-12-24(5,6)14-25(18(16)11-17)9-10-34-21(29-25)28-22(31)33-23(2,3)4/h7-8,11,13H,9-10,12,14H2,1-6H3,(H,27,30)(H,28,29,31)
InChIKeyQZMTZJTZLQMWJN-UHFFFAOYSA-N
XLogP5.42
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate
CID 66689574
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941
tert-butyl N-[(1S,7S)-1-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-4-thia-2-azabicyclo[5.1.0]oct-2-en-3-yl]carbamate
CID 71204773
tert-butyl N-[(4S)-4-(5-amino-3-pyridinyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
CID 59250605
tert-butyl N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)carbamate
CID 137450252
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 51352360
N-[3-[(4S)-2-amino-4-ethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 53230335
tert-butyl N-[(7aS)-7a-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]carbamate
CID 143834714
tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
CID 153378805
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 140586555
CID 90056284
CID 90056284
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59250450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate?
The IUPAC name of tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate (CID 66688377) is tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate is Cc1nc(C(=O)Nc2ccc3c(c2)C2(CCSC(NC(=O)OC(C)(C)C)=N2)CC(C)(C)C3)co1.
What is the InChIKey of tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate?
The InChIKey is QZMTZJTZLQMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-15-26-19(13-32-15)20(30)27-17-8-7-16-12-24(5,6)14-25(18(16)11-17)9-10-34-21(29-25)28-22(31)33-23(2,3)4/h7-8,11,13H,9-10,12,14H2,1-6H3,(H,27,30)(H,28,29,31).
What are the key properties of tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate?
tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate has a molecular weight of 484.62 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-dimethyl-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]spiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-yl]carbamate is sourced from PubChem (CID 66688377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).