trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol

C8H13N3OS2 — CID 93317597

IUPACtrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
SMILESNc1nnc(S[C@@H]2CCCC[C@H]2O)s1
InChIInChI=1S/C8H13N3OS2/c9-7-10-11-8(14-7)13-6-4-2-1-3-5(6)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyZJELVZKPNAGGDD-PHDIDXHHSA-N
MW231.35 g/mol
LogP1.52
Rot. Bonds2

About trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol

trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol (PubChem CID 93317597) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
PubChem CID93317597
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
SMILESNc1nnc(S[C@@H]2CCCC[C@H]2O)s1
InChIInChI=1S/C8H13N3OS2/c9-7-10-11-8(14-7)13-6-4-2-1-3-5(6)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyZJELVZKPNAGGDD-PHDIDXHHSA-N
XLogP1.52
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol (CID 93317597) is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol is Nc1nnc(S[C@@H]2CCCC[C@H]2O)s1.
What is the InChIKey of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The InChIKey is ZJELVZKPNAGGDD-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13N3OS2/c9-7-10-11-8(14-7)13-6-4-2-1-3-5(6)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol has a molecular weight of 231.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 93317597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).