10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile

C26H29N5OS — CID 86581250

IUPAC10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCN1CCC2(CC1)CCN(c1nc3c(s1)C(=O)c1c([nH]c4cc(C#N)ccc14)C3(C)C)CC2
InChIInChI=1S/C26H29N5OS/c1-25(2)22-19(17-5-4-16(15-27)14-18(17)28-22)20(32)21-23(25)29-24(33-21)31-12-8-26(9-13-31)6-10-30(3)11-7-26/h4-5,14,28H,6-13H2,1-3H3
InChIKeyAUYHGIJTOLXMCP-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.68
Rot. Bonds1

About 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile

10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (PubChem CID 86581250) has the molecular formula C26H29N5OS and a molecular weight of 459.62 g/mol. Its IUPAC name is 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile.

Molecular Properties

Compound Name10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
PubChem CID86581250
Molecular FormulaC26H29N5OS
Molecular Weight459.62 g/mol
Exact Mass459.21
IUPAC Name10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCN1CCC2(CC1)CCN(c1nc3c(s1)C(=O)c1c([nH]c4cc(C#N)ccc14)C3(C)C)CC2
InChIInChI=1S/C26H29N5OS/c1-25(2)22-19(17-5-4-16(15-27)14-18(17)28-22)20(32)21-23(25)29-24(33-21)31-12-8-26(9-13-31)6-10-30(3)11-7-26/h4-5,14,28H,6-13H2,1-3H3
InChIKeyAUYHGIJTOLXMCP-UHFFFAOYSA-N
XLogP4.68
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The IUPAC name of 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (CID 86581250) is 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile.
What is the SMILES notation for 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The canonical SMILES for 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is CN1CCC2(CC1)CCN(c1nc3c(s1)C(=O)c1c([nH]c4cc(C#N)ccc14)C3(C)C)CC2.
What is the InChIKey of 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The InChIKey is AUYHGIJTOLXMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OS/c1-25(2)22-19(17-5-4-16(15-27)14-18(17)28-22)20(32)21-23(25)29-24(33-21)31-12-8-26(9-13-31)6-10-30(3)11-7-26/h4-5,14,28H,6-13H2,1-3H3.
What are the key properties of 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile has a molecular weight of 459.62 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is sourced from PubChem (CID 86581250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).