(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol

C17H16N4OS2 — CID 32695207

IUPAC(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol
SMILESNc1nnc(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C17H16N4OS2/c18-16-19-20-17(24-16)23-10-11(22)9-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)21/h1-8,11,22H,9-10H2,(H2,18,19)/t11-/m0/s1
InChIKeyAPPRMFWTQZRABG-NSHDSACASA-N
MW356.48 g/mol
LogP3.38
Rot. Bonds5

About (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol

(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol (PubChem CID 32695207) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol
PubChem CID32695207
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol
SMILESNc1nnc(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C17H16N4OS2/c18-16-19-20-17(24-16)23-10-11(22)9-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)21/h1-8,11,22H,9-10H2,(H2,18,19)/t11-/m0/s1
InChIKeyAPPRMFWTQZRABG-NSHDSACASA-N
XLogP3.38
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol (CID 32695207) is (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol is Nc1nnc(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)s1.
What is the InChIKey of (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol?
The InChIKey is APPRMFWTQZRABG-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N4OS2/c18-16-19-20-17(24-16)23-10-11(22)9-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)21/h1-8,11,22H,9-10H2,(H2,18,19)/t11-/m0/s1.
What are the key properties of (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol?
(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol has a molecular weight of 356.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 32695207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).