6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C22H26N6O3S2 — CID 146349561

IUPAC6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)c(N)c2s1
InChIInChI=1S/C22H26N6O3S2/c1-11-25-21-19(32-11)17(24)18(33-21)20(29)26-13-3-4-14-12(8-13)2-5-16(27-14)28-9-15(23)22(10-28)30-6-7-31-22/h2,5,13,15H,3-4,6-10,23-24H2,1H3,(H,26,29)
InChIKeyYOXNPDZUJSVNBM-UHFFFAOYSA-N
MW486.62 g/mol
LogP1.82
Rot. Bonds3

About 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 146349561) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID146349561
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)c(N)c2s1
InChIInChI=1S/C22H26N6O3S2/c1-11-25-21-19(32-11)17(24)18(33-21)20(29)26-13-3-4-14-12(8-13)2-5-16(27-14)28-9-15(23)22(10-28)30-6-7-31-22/h2,5,13,15H,3-4,6-10,23-24H2,1H3,(H,26,29)
InChIKeyYOXNPDZUJSVNBM-UHFFFAOYSA-N
XLogP1.82
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 146349561) is 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCO6)ccc4C3)c(N)c2s1.
What is the InChIKey of 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is YOXNPDZUJSVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-11-25-21-19(32-11)17(24)18(33-21)20(29)26-13-3-4-14-12(8-13)2-5-16(27-14)28-9-15(23)22(10-28)30-6-7-31-22/h2,5,13,15H,3-4,6-10,23-24H2,1H3,(H,26,29).
What are the key properties of 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 146349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).