trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol

C13H15N3OS — CID 102060593

IUPACtrans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c17-11-8-4-7-10(11)12-15-16-13(18-12)14-9-5-2-1-3-6-9/h1-3,5-6,10-11,17H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyVUXHGMBLABCZTE-QWRGUYRKSA-N
MW261.35 g/mol
LogP2.91
Rot. Bonds3

About trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol (PubChem CID 102060593) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol
PubChem CID102060593
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Nametrans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c17-11-8-4-7-10(11)12-15-16-13(18-12)14-9-5-2-1-3-6-9/h1-3,5-6,10-11,17H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyVUXHGMBLABCZTE-QWRGUYRKSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol
CID 14687043
5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 156770998
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3987138
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 2648064
5-[2-(5-anilino-1,3,4-thiadiazol-2-yl)hydrazinyl]-1,3,4-thiadiazol-2-amine
CID 139226799
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 2107152
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11920527
N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 131017877
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 4555242
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 40625942

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol (CID 102060593) is trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1c1nnc(Nc2ccccc2)s1.
What is the InChIKey of trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol?
The InChIKey is VUXHGMBLABCZTE-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-11-8-4-7-10(11)12-15-16-13(18-12)14-9-5-2-1-3-6-9/h1-3,5-6,10-11,17H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol has a molecular weight of 261.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 102060593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).