2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol

C21H23N3O2S — CID 123200724

IUPAC2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol
SMILESCc1ccc2c(c1)C1(CSC(N)=N1)C1CC(O)(c3cccnc3)CCC1O2
InChIInChI=1S/C21H23N3O2S/c1-13-4-5-17-15(9-13)21(12-27-19(22)24-21)16-10-20(25,7-6-18(16)26-17)14-3-2-8-23-11-14/h2-5,8-9,11,16,18,25H,6-7,10,12H2,1H3,(H2,22,24)
InChIKeyUFTDJLGOOJTAIM-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.10
Rot. Bonds1

About 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol

2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol (PubChem CID 123200724) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol.

Molecular Properties

Compound Name2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol
PubChem CID123200724
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol
SMILESCc1ccc2c(c1)C1(CSC(N)=N1)C1CC(O)(c3cccnc3)CCC1O2
InChIInChI=1S/C21H23N3O2S/c1-13-4-5-17-15(9-13)21(12-27-19(22)24-21)16-10-20(25,7-6-18(16)26-17)14-3-2-8-23-11-14/h2-5,8-9,11,16,18,25H,6-7,10,12H2,1H3,(H2,22,24)
InChIKeyUFTDJLGOOJTAIM-UHFFFAOYSA-N
XLogP3.10
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol?
The IUPAC name of 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol (CID 123200724) is 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol.
What is the SMILES notation for 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol?
The canonical SMILES for 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol is Cc1ccc2c(c1)C1(CSC(N)=N1)C1CC(O)(c3cccnc3)CCC1O2.
What is the InChIKey of 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol?
The InChIKey is UFTDJLGOOJTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-4-5-17-15(9-13)21(12-27-19(22)24-21)16-10-20(25,7-6-18(16)26-17)14-3-2-8-23-11-14/h2-5,8-9,11,16,18,25H,6-7,10,12H2,1H3,(H2,22,24).
What are the key properties of 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol?
2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol has a molecular weight of 381.50 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-7-methyl-2-pyridin-3-ylspiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-thiazole]-2-ol is sourced from PubChem (CID 123200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).