[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol

C9H13N3OS — CID 131135373

IUPAC[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCc1nsc(N[C@@H]2C=C[C@H](CO)C2)n1
InChIInChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)11-8-3-2-7(4-8)5-13/h2-3,7-8,13H,4-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1
InChIKeyMFSOKNMWJRUJGK-JGVFFNPUSA-N
MW211.29 g/mol
LogP1.20
Rot. Bonds3

About [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol (PubChem CID 131135373) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol
PubChem CID131135373
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCc1nsc(N[C@@H]2C=C[C@H](CO)C2)n1
InChIInChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)11-8-3-2-7(4-8)5-13/h2-3,7-8,13H,4-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1
InChIKeyMFSOKNMWJRUJGK-JGVFFNPUSA-N
XLogP1.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol (CID 131135373) is [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol is Cc1nsc(N[C@@H]2C=C[C@H](CO)C2)n1.
What is the InChIKey of [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is MFSOKNMWJRUJGK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)11-8-3-2-7(4-8)5-13/h2-3,7-8,13H,4-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1.
What are the key properties of [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 211.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 131135373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).