(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

C14H14N2O2S — CID 51949489

IUPAC(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC=CCC1
InChIInChI=1S/C14H14N2O2S/c17-13(10-5-2-1-3-6-10)16-14-15-11(9-19-14)12-7-4-8-18-12/h1-2,4,7-10H,3,5-6H2,(H,15,16,17)/t10-/m0/s1
InChIKeyXXEOJRGVQXEWKW-JTQLQIEISA-N
MW274.34 g/mol
LogP3.70
Rot. Bonds3

About (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 51949489) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID51949489
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC=CCC1
InChIInChI=1S/C14H14N2O2S/c17-13(10-5-2-1-3-6-10)16-14-15-11(9-19-14)12-7-4-8-18-12/h1-2,4,7-10H,3,5-6H2,(H,15,16,17)/t10-/m0/s1
InChIKeyXXEOJRGVQXEWKW-JTQLQIEISA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51949503
(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369502
(1S)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369503
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
CID 71785385
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519353
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538275
(2S,4S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 87496204

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (CID 51949489) is (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XXEOJRGVQXEWKW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13(10-5-2-1-3-6-10)16-14-15-11(9-19-14)12-7-4-8-18-12/h1-2,4,7-10H,3,5-6H2,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51949489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).