3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole

C23H19N3OS — CID 46702553

IUPAC3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)OCN(Cc1nc2ccccc2s1)C3
InChIInChI=1S/C23H19N3OS/c1-25-19-8-4-2-6-16(19)17-10-15-12-26(14-27-21(15)11-20(17)25)13-23-24-18-7-3-5-9-22(18)28-23/h2-11H,12-14H2,1H3
InChIKeyMPKROIXLZXCMAU-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.29
Rot. Bonds2

About 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole

3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole (PubChem CID 46702553) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
PubChem CID46702553
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)OCN(Cc1nc2ccccc2s1)C3
InChIInChI=1S/C23H19N3OS/c1-25-19-8-4-2-6-16(19)17-10-15-12-26(14-27-21(15)11-20(17)25)13-23-24-18-7-3-5-9-22(18)28-23/h2-11H,12-14H2,1H3
InChIKeyMPKROIXLZXCMAU-UHFFFAOYSA-N
XLogP5.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole (CID 46702553) is 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole is Cn1c2ccccc2c2cc3c(cc21)OCN(Cc1nc2ccccc2s1)C3.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The InChIKey is MPKROIXLZXCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-25-19-8-4-2-6-16(19)17-10-15-12-26(14-27-21(15)11-20(17)25)13-23-24-18-7-3-5-9-22(18)28-23/h2-11H,12-14H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole has a molecular weight of 385.49 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole is sourced from PubChem (CID 46702553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).