10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile

C25H27N5O2S — CID 76955704

IUPAC10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCC1(C)c2nc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C25H27N5O2S/c1-25(2)22-19(17-4-3-15(14-26)13-18(17)27-22)20(31)21-23(25)28-24(33-21)30-7-5-16(6-8-30)29-9-11-32-12-10-29/h3-4,13,16,27H,5-12H2,1-2H3
InChIKeyWXGYLSSHBVLZGK-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.67
Rot. Bonds2

About 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile

10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (PubChem CID 76955704) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile.

Molecular Properties

Compound Name10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
PubChem CID76955704
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCC1(C)c2nc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C25H27N5O2S/c1-25(2)22-19(17-4-3-15(14-26)13-18(17)27-22)20(31)21-23(25)28-24(33-21)30-7-5-16(6-8-30)29-9-11-32-12-10-29/h3-4,13,16,27H,5-12H2,1-2H3
InChIKeyWXGYLSSHBVLZGK-UHFFFAOYSA-N
XLogP3.67
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The IUPAC name of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (CID 76955704) is 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile.
What is the SMILES notation for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The canonical SMILES for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is CC1(C)c2nc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The InChIKey is WXGYLSSHBVLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-25(2)22-19(17-4-3-15(14-26)13-18(17)27-22)20(31)21-23(25)28-24(33-21)30-7-5-16(6-8-30)29-9-11-32-12-10-29/h3-4,13,16,27H,5-12H2,1-2H3.
What are the key properties of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile has a molecular weight of 461.59 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is sourced from PubChem (CID 76955704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).