7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C14H18N2O2S — CID 18834316

IUPAC7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1csc(NC(=O)C23CCC(CC2=O)C3(C)C)n1
InChIInChI=1S/C14H18N2O2S/c1-8-7-19-12(15-8)16-11(18)14-5-4-9(6-10(14)17)13(14,2)3/h7,9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyYVNXFNNZTUAYEV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.79
Rot. Bonds2

About 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide

7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834316) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834316
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1csc(NC(=O)C23CCC(CC2=O)C3(C)C)n1
InChIInChI=1S/C14H18N2O2S/c1-8-7-19-12(15-8)16-11(18)14-5-4-9(6-10(14)17)13(14,2)3/h7,9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyYVNXFNNZTUAYEV-UHFFFAOYSA-N
XLogP2.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834316) is 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide is Cc1csc(NC(=O)C23CCC(CC2=O)C3(C)C)n1.
What is the InChIKey of 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YVNXFNNZTUAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-7-19-12(15-8)16-11(18)14-5-4-9(6-10(14)17)13(14,2)3/h7,9H,4-6H2,1-3H3,(H,15,16,18).
What are the key properties of 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).