3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

C14H18N2OS — CID 663198

IUPAC3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3nccs3)CCC(C2)C1(C)C
InChIInChI=1S/C14H18N2OS/c1-9-13(2,3)10-4-5-14(9,8-10)11(17)16-12-15-6-7-18-12/h6-7,10H,1,4-5,8H2,2-3H3,(H,15,16,17)
InChIKeyGDVQIRCVJXZVOA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.46
Rot. Bonds2

About 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 663198) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID663198
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3nccs3)CCC(C2)C1(C)C
InChIInChI=1S/C14H18N2OS/c1-9-13(2,3)10-4-5-14(9,8-10)11(17)16-12-15-6-7-18-12/h6-7,10H,1,4-5,8H2,2-3H3,(H,15,16,17)
InChIKeyGDVQIRCVJXZVOA-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.46
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 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide (CID 663198) is 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)Nc3nccs3)CCC(C2)C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is GDVQIRCVJXZVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-13(2,3)10-4-5-14(9,8-10)11(17)16-12-15-6-7-18-12/h6-7,10H,1,4-5,8H2,2-3H3,(H,15,16,17).
What are the key properties of 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 663198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).