(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide

C10H11N3O3S — CID 95402272

IUPAC(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1CC=CCC1
InChIInChI=1S/C10H11N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-2,6-7H,3-5H2,(H,11,12,14)/t7-/m0/s1
InChIKeyWUZFDECPURRLBM-ZETCQYMHSA-N
MW253.28 g/mol
LogP2.35
Rot. Bonds3

About (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide

(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 95402272) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID95402272
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1CC=CCC1
InChIInChI=1S/C10H11N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-2,6-7H,3-5H2,(H,11,12,14)/t7-/m0/s1
InChIKeyWUZFDECPURRLBM-ZETCQYMHSA-N
XLogP2.35
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide (CID 95402272) is (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WUZFDECPURRLBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-2,6-7H,3-5H2,(H,11,12,14)/t7-/m0/s1.
What are the key properties of (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95402272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).