6-amino-N-[2-(9-amino-3,3-dimethyl-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

C24H30N6O3S2 — CID 172540177

IUPAC6-amino-N-[2-(9-amino-3,3-dimethyl-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)OCC(C)(C)O6)ccc4C3)c(N)c2s1
InChIInChI=1S/C24H30N6O3S2/c1-12-27-22-20(34-12)18(26)19(35-22)21(31)28-14-5-6-15-13(8-14)4-7-17(29-15)30-9-16(25)24(10-30)32-11-23(2,3)33-24/h4,7,14,16H,5-6,8-11,25-26H2,1-3H3,(H,28,31)
InChIKeyXUUFKTCNPBLNPK-UHFFFAOYSA-N
MW514.68 g/mol
LogP2.60
Rot. Bonds3

About 6-amino-N-[2-(9-amino-3,3-dimethyl-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-3,3-dimethyl-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 172540177) has the molecular formula C24H30N6O3S2 and a molecular weight of 514.68 g/mol. Its IUPAC name is 6-amino-N-[2-(9-amino-3,3-dimethyl-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-3,3-dimethyl-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 CID172540177
Molecular FormulaC24H30N6O3S2
Molecular Weight514.68 g/mol
Exact Mass514.18
IUPAC Name6-amino-N-[2-(9-amino-3,3-dimethyl-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)OCC(C)(C)O6)ccc4C3)c(N)c2s1
InChIInChI=1S/C24H30N6O3S2/c1-12-27-22-20(34-12)18(26)19(35-22)21(31)28-14-5-6-15-13(8-14)4-7-17(29-15)30-9-16(25)24(10-30)32-11-23(2,3)33-24/h4,7,14,16H,5-6,8-11,25-26H2,1-3H3,(H,28,31)
InChIKeyXUUFKTCNPBLNPK-UHFFFAOYSA-N
XLogP2.60
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.68
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-N-[2-(9-amino-3,3-dimethyl-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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Related Compounds

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
6-amino-N-[7-(9-amino-3,3-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 172540405
3-amino-N-[(6S)-2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489555
6-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 172539854
5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172540353
6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146348723
5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539750
3-amino-N-[(6S)-2-[(5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 150163686
3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 146349633
7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 142528405
3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224690
7-amino-N-[(6S)-2-(3-azabicyclo[3.1.1]heptan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167553028

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(9-amino-3,3-dimethyl-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-3,3-dimethyl-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 172540177) is 6-amino-N-[2-(9-amino-3,3-dimethyl-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-3,3-dimethyl-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-3,3-dimethyl-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)OCC(C)(C)O6)ccc4C3)c(N)c2s1.
What is the InChIKey of 6-amino-N-[2-(9-amino-3,3-dimethyl-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 XUUFKTCNPBLNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S2/c1-12-27-22-20(34-12)18(26)19(35-22)21(31)28-14-5-6-15-13(8-14)4-7-17(29-15)30-9-16(25)24(10-30)32-11-23(2,3)33-24/h4,7,14,16H,5-6,8-11,25-26H2,1-3H3,(H,28,31).
What are the key properties of 6-amino-N-[2-(9-amino-3,3-dimethyl-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-3,3-dimethyl-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 514.68 g/mol, XLogP of 2.60, 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-3,3-dimethyl-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 172540177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).