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

C9H15N3OS2 — CID 176892176

IUPACtrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol
SMILESNc1nnc(S[C@@H]2CCCCC[C@H]2O)s1
InChIInChI=1S/C9H15N3OS2/c10-8-11-12-9(15-8)14-7-5-3-1-2-4-6(7)13/h6-7,13H,1-5H2,(H2,10,11)/t6-,7-/m1/s1
InChIKeyQCMANTMSUKTHCF-RNFRBKRXSA-N
MW245.37 g/mol
LogP1.91
Rot. Bonds2

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

trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol (PubChem CID 176892176) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol
PubChem CID176892176
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol
SMILESNc1nnc(S[C@@H]2CCCCC[C@H]2O)s1
InChIInChI=1S/C9H15N3OS2/c10-8-11-12-9(15-8)14-7-5-3-1-2-4-6(7)13/h6-7,13H,1-5H2,(H2,10,11)/t6-,7-/m1/s1
InChIKeyQCMANTMSUKTHCF-RNFRBKRXSA-N
XLogP1.91
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol with MolForge

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 60714662
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 93317597
(NE)-N-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclooctylidene]hydroxylamine
CID 40549322
(2R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 176892201
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol
CID 60886467
2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
CID 113288637
2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol
CID 60883980
trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
CID 102735696
trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol
CID 102735798
2-(3,5-dichlorophenyl)sulfanylcycloheptan-1-ol
CID 112736306
trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735669
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
CID 6917258

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol (CID 176892176) is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol is Nc1nnc(S[C@@H]2CCCCC[C@H]2O)s1.
What is the InChIKey of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol?
The InChIKey is QCMANTMSUKTHCF-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15N3OS2/c10-8-11-12-9(15-8)14-7-5-3-1-2-4-6(7)13/h6-7,13H,1-5H2,(H2,10,11)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol?
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 1.91, 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]cycloheptan-1-ol is sourced from PubChem (CID 176892176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).