1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol

C19H20F2N2OS — CID 135284918

IUPAC1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol
SMILESOC(CN1CCCCS1)Cn1c2ccc(F)cc2c2c(F)cccc21
InChIInChI=1S/C19H20F2N2OS/c20-13-6-7-17-15(10-13)19-16(21)4-3-5-18(19)23(17)12-14(24)11-22-8-1-2-9-25-22/h3-7,10,14,24H,1-2,8-9,11-12H2
InChIKeyRTBZTCZPOKDWEE-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol

1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol (PubChem CID 135284918) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol
PubChem CID135284918
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol
SMILESOC(CN1CCCCS1)Cn1c2ccc(F)cc2c2c(F)cccc21
InChIInChI=1S/C19H20F2N2OS/c20-13-6-7-17-15(10-13)19-16(21)4-3-5-18(19)23(17)12-14(24)11-22-8-1-2-9-25-22/h3-7,10,14,24H,1-2,8-9,11-12H2
InChIKeyRTBZTCZPOKDWEE-UHFFFAOYSA-N
XLogP4.18
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 135284908
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
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447
1-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 171343794
1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
CID 118415390
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66742656
3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CID 166508322
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol?
The IUPAC name of 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol (CID 135284918) is 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol is OC(CN1CCCCS1)Cn1c2ccc(F)cc2c2c(F)cccc21.
What is the InChIKey of 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol?
The InChIKey is RTBZTCZPOKDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-13-6-7-17-15(10-13)19-16(21)4-3-5-18(19)23(17)12-14(24)11-22-8-1-2-9-25-22/h3-7,10,14,24H,1-2,8-9,11-12H2.
What are the key properties of 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol?
1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol has a molecular weight of 362.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorocarbazol-9-yl)-3-(thiazinan-2-yl)propan-2-ol is sourced from PubChem (CID 135284918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).