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

C23H23N5O2S — CID 78319846

IUPAC10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCC1(C)c2nc(N3CCN(C4COC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H23N5O2S/c1-23(2)20-17(15-4-3-13(10-24)9-16(15)25-20)18(29)19-21(23)26-22(31-19)28-7-5-27(6-8-28)14-11-30-12-14/h3-4,9,14,25H,5-8,11-12H2,1-2H3
InChIKeyIGFYEIMKMMPHOM-UHFFFAOYSA-N
MW433.54 g/mol
LogP2.89
Rot. Bonds2

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

10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (PubChem CID 78319846) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile.

Molecular Properties

Compound Name10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
PubChem CID78319846
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
SMILESCC1(C)c2nc(N3CCN(C4COC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C23H23N5O2S/c1-23(2)20-17(15-4-3-13(10-24)9-16(15)25-20)18(29)19-21(23)26-22(31-19)28-7-5-27(6-8-28)14-11-30-12-14/h3-4,9,14,25H,5-8,11-12H2,1-2H3
InChIKeyIGFYEIMKMMPHOM-UHFFFAOYSA-N
XLogP2.89
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 52.89
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-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The IUPAC name of 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile (CID 78319846) is 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-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-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The canonical SMILES for 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is CC1(C)c2nc(N3CCN(C4COC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
The InChIKey is IGFYEIMKMMPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-23(2)20-17(15-4-3-13(10-24)9-16(15)25-20)18(29)19-21(23)26-22(31-19)28-7-5-27(6-8-28)14-11-30-12-14/h3-4,9,14,25H,5-8,11-12H2,1-2H3.
What are the key properties of 10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile?
10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile has a molecular weight of 433.54 g/mol, XLogP of 2.89, 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-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile is sourced from PubChem (CID 78319846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).