(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H20N2OS — CID 56753082

IUPAC(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCc1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-14-17-12(9-19-14)8-16-15(18)13-7-10-4-5-11(13)6-10/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,16,18)/t10-,11+,13-/m1/s1
InChIKeyKRJPSESNCOCZJI-NTZNESFSSA-N
MW276.40 g/mol
LogP2.92
Rot. Bonds5

About (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 56753082) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID56753082
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCc1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-14-17-12(9-19-14)8-16-15(18)13-7-10-4-5-11(13)6-10/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,16,18)/t10-,11+,13-/m1/s1
InChIKeyKRJPSESNCOCZJI-NTZNESFSSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 56753082) is (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCc1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cs1.
What is the InChIKey of (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KRJPSESNCOCZJI-NTZNESFSSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-14-17-12(9-19-14)8-16-15(18)13-7-10-4-5-11(13)6-10/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,16,18)/t10-,11+,13-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 56753082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).