(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol

C21H19N5OS2 — CID 34079495

IUPAC(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESO[C@H](CSc1nnnn1Cc1cccs1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19N5OS2/c27-15(14-29-21-22-23-24-26(21)13-16-6-5-11-28-16)12-25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-11,15,27H,12-14H2/t15-/m0/s1
InChIKeySXVDLRZDRWXLBH-HNNXBMFYSA-N
MW421.55 g/mol
LogP4.04
Rot. Bonds7

About (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol

(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 34079495) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID34079495
Molecular FormulaC21H19N5OS2
Molecular Weight421.55 g/mol
Exact Mass421.10
IUPAC Name(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESO[C@H](CSc1nnnn1Cc1cccs1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19N5OS2/c27-15(14-29-21-22-23-24-26(21)13-16-6-5-11-28-16)12-25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-11,15,27H,12-14H2/t15-/m0/s1
InChIKeySXVDLRZDRWXLBH-HNNXBMFYSA-N
XLogP4.04
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol (CID 34079495) is (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol is O[C@H](CSc1nnnn1Cc1cccs1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is SXVDLRZDRWXLBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N5OS2/c27-15(14-29-21-22-23-24-26(21)13-16-6-5-11-28-16)12-25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-11,15,27H,12-14H2/t15-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
(2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 421.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 34079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).