1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol

C18H19F2N3OS — CID 135284908

IUPAC1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESOC(CN1CCCNS1)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H19F2N3OS/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-25-22/h2-5,8-9,14,21,24H,1,6-7,10-11H2
InChIKeyDLUAGJQXKGJULU-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.29
Rot. Bonds4

About 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol

1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol (PubChem CID 135284908) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
PubChem CID135284908
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
SMILESOC(CN1CCCNS1)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H19F2N3OS/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-25-22/h2-5,8-9,14,21,24H,1,6-7,10-11H2
InChIKeyDLUAGJQXKGJULU-UHFFFAOYSA-N
XLogP3.29
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
1-(5-cyclohexyl-1,2,5-thiadiazinan-2-yl)-3-(3,6-difluorocarbazol-9-yl)propan-2-ol
CID 135284887
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol
CID 135284918
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
CID 118415390
3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CID 166508322
1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
CID 135295529
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol?
The IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol (CID 135284908) is 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol is OC(CN1CCCNS1)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol?
The InChIKey is DLUAGJQXKGJULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c19-12-2-4-17-15(8-12)16-9-13(20)3-5-18(16)23(17)11-14(24)10-22-7-1-6-21-25-22/h2-5,8-9,14,21,24H,1,6-7,10-11H2.
What are the key properties of 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol?
1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol has a molecular weight of 363.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 135284908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).