6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C20H22ClN3S — CID 66683751

IUPAC6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2C2(CCSC(N)=N2)C1
InChIInChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24)
InChIKeyNNOWXMJGJLIDEA-UHFFFAOYSA-N
MW371.94 g/mol
LogP5.02
Rot. Bonds1

About 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 66683751) has the molecular formula C20H22ClN3S and a molecular weight of 371.94 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID66683751
Molecular FormulaC20H22ClN3S
Molecular Weight371.94 g/mol
Exact Mass371.12
IUPAC Name6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2C2(CCSC(N)=N2)C1
InChIInChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24)
InChIKeyNNOWXMJGJLIDEA-UHFFFAOYSA-N
XLogP5.02
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.94
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 66684245
CID 66684245
CID 57386416
CID 57386416
CID 72714745
CID 72714745
CID 135125965
CID 135125965
CID 57628041
CID 57628041
CID 53494434
CID 53494434
CID 57948932
CID 57948932
CID 66683749
CID 66683749
CID 66684361
CID 66684361
CID 67025196
CID 67025196
CID 68048700
CID 68048700
CID 68538797
CID 68538797

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 66683751) is 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2C2(CCSC(N)=N2)C1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is NNOWXMJGJLIDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24).
What are the key properties of 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 371.94 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 66683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).