(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide

C9H11N3OS — CID 29369502

IUPAC(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1nncs1)[C@H]1CC=CCC1
InChIInChI=1S/C9H11N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-2,6-7H,3-5H2,(H,11,12,13)/t7-/m0/s1
InChIKeyMCHGEELEKIXILJ-ZETCQYMHSA-N
MW209.27 g/mol
LogP1.83
Rot. Bonds2

About (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide

(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 29369502) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID29369502
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1nncs1)[C@H]1CC=CCC1
InChIInChI=1S/C9H11N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-2,6-7H,3-5H2,(H,11,12,13)/t7-/m0/s1
InChIKeyMCHGEELEKIXILJ-ZETCQYMHSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide (CID 29369502) is (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1nncs1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is MCHGEELEKIXILJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-2,6-7H,3-5H2,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 29369502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).