(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]

C18H18N2O2S2 — CID 44574509

IUPAC(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]
SMILESCON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Oc1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-21-20-15-11-7-6-10-14(15)18(12-19-17(23-2)24-18)16(20)22-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyDGNYMRHOGUSKCQ-WMZOPIPTSA-N
MW358.49 g/mol
LogP4.13
Rot. Bonds3

About (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]

(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole] (PubChem CID 44574509) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole].

Molecular Properties

Compound Name(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]
PubChem CID44574509
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]
SMILESCON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Oc1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-21-20-15-11-7-6-10-14(15)18(12-19-17(23-2)24-18)16(20)22-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyDGNYMRHOGUSKCQ-WMZOPIPTSA-N
XLogP4.13
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]?
The IUPAC name of (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole] (CID 44574509) is (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole].
What is the SMILES notation for (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]?
The canonical SMILES for (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole] is CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Oc1ccccc1.
What is the InChIKey of (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]?
The InChIKey is DGNYMRHOGUSKCQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-21-20-15-11-7-6-10-14(15)18(12-19-17(23-2)24-18)16(20)22-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole]?
(2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole] has a molecular weight of 358.49 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-methoxy-2'-methylsulfanyl-2-phenoxyspiro[2H-indole-3,5'-4H-1,3-thiazole] is sourced from PubChem (CID 44574509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).