4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

C14H18N2O2S — CID 2898031

IUPAC4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3nccs3)(CC1=O)C2(C)C
InChIInChI=1S/C14H18N2O2S/c1-12(2)13(3)4-5-14(12,8-9(13)17)10(18)16-11-15-6-7-19-11/h6-7H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyIGZWORDPQQWVIC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.87
Rot. Bonds2

About 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2898031) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2898031
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3nccs3)(CC1=O)C2(C)C
InChIInChI=1S/C14H18N2O2S/c1-12(2)13(3)4-5-14(12,8-9(13)17)10(18)16-11-15-6-7-19-11/h6-7H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyIGZWORDPQQWVIC-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide (CID 2898031) is 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)Nc3nccs3)(CC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is IGZWORDPQQWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-12(2)13(3)4-5-14(12,8-9(13)17)10(18)16-11-15-6-7-19-11/h6-7H,4-5,8H2,1-3H3,(H,15,16,18).
What are the key properties of 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2898031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).