tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate

C17H22N2O3S2 — CID 73355663

IUPACtert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate
SMILESCO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2
InChIInChI=1S/C17H22N2O3S2/c1-16(2,3)22-15(20)19-12-9-7-6-8-11(12)17(13(19)21-4)10-18-14(23-5)24-17/h6-9,13H,10H2,1-5H3/t13-,17+/m1/s1
InChIKeyZNXNWQZXZILWTH-DYVFJYSZSA-N
MW366.51 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate

tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate (PubChem CID 73355663) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate
PubChem CID73355663
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Nametert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate
SMILESCO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2
InChIInChI=1S/C17H22N2O3S2/c1-16(2,3)22-15(20)19-12-9-7-6-8-11(12)17(13(19)21-4)10-18-14(23-5)24-17/h6-9,13H,10H2,1-5H3/t13-,17+/m1/s1
InChIKeyZNXNWQZXZILWTH-DYVFJYSZSA-N
XLogP4.08
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate with MolForge

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Related Compounds

3-O,4-O-ditert-butyl 2-O-methyl (2S,3aS,8bR)-8b-[(2S,3aS,8bR)-2-methoxycarbonyl-3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
CID 102390795
ditert-butyl (3aR,8bR)-8b-iodo-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate
CID 162412549
1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one
CID 11425998
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CID 11287775
3-O,4-O-ditert-butyl 2-O-methyl (2S,8bR)-8b-phenylselanyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
CID 11169112
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
tert-butyl 1-amino-1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
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tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
11-O-tert-butyl 3-O-methyl (1R,3S,10R)-8-oxo-4,11-diazatetracyclo[8.7.0.01,5.012,17]heptadeca-4,12,14,16-tetraene-3,11-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate (CID 73355663) is tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate is CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2.
What is the InChIKey of tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate?
The InChIKey is ZNXNWQZXZILWTH-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-16(2,3)22-15(20)19-12-9-7-6-8-11(12)17(13(19)21-4)10-18-14(23-5)24-17/h6-9,13H,10H2,1-5H3/t13-,17+/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate?
tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate is sourced from PubChem (CID 73355663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).